CAS 79-19-6|Thiosemicarbazide
| Common Name | Thiosemicarbazide | ||
|---|---|---|---|
| CAS Number | 79-19-6 | Molecular Weight | 91.14 |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 208.6±23.0 °C at 760 mmHg |
| Molecular Formula | CH5N3S | Melting Point | 180-183 °C (dec.)(lit.) |
| MSDS | ChineseUSA | Flash Point | 80.0±22.6 °C |
| Symbol | GHS06 | Signal Word | Danger |
Names
| Name | thiosemicarbazide |
|---|---|
| Synonym | More Synonyms |
Thiosemicarbazide BiologicalActivity
| Description | Thiosemicarbazide is well-known source in heterocyclic synthesis. Thiosemicarbazide has also been utilized for spectrophotometric detection of metals, gadget applications with respect to media communications and optical storage[1]. |
|---|---|
| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
| References | [1]. Sraa Abu-Melha. Pyridyl thiosemicarbazide: synthesis, crystal structure, DFT/B3LYP, molecular docking studies and its biological investigations. |
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 208.6±23.0 °C at 760 mmHg |
| Melting Point | 180-183 °C (dec.)(lit.) |
| Molecular Formula | CH5N3S |
| Molecular Weight | 91.14 |
| Flash Point | 80.0±22.6 °C |
| Exact Mass | 91.020416 |
| PSA | 96.16000 |
| LogP | -1.15 |
| Vapour Pressure | 0.2±0.4 mmHg at 25°C |
| Index of Refraction | 1.667 |
| InChIKey | BRWIZMBXBAOCCF-UHFFFAOYSA-N |
| SMILES | NNC(N)=S |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| Water Solubility | soluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 9160 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 94 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 16407 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 13 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 10 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 20 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands Gastrointestinal - nausea or vomiting
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 13 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 2200 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Skin and Appendages - hair
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 14 mg/kg
- TOXIC EFFECTS :
- Behavioral - excitement Endocrine - hyperglycemia
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Ocular
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - acute pulmonary edema Blood - hemorrhage
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 24 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Bird - wild bird species
- DOSE/DURATION :
- 9100 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1024 mg/kg/78W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2048 mg/kg/78W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors
MUTATION DATA - TYPE OF TEST :
- DNA damage
- TEST SYSTEM :
- Human HeLa cell
- DOSE/DURATION :
- 20 umol/L
- REFERENCE :
- BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 25,821,1976 *** REVIEWS *** TOXICOLOGY REVIEW MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 39,111,1977 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 72890 No. of Facilities: 435 (estimated) No. of Industries: 2 No. of Occupations: 4 No. of Employees: 4353 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 72890 No. of Facilities: 347 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 1341 (estimated) No. of Female Employees: 1152 (estimated)
- TYPE OF TEST :
- DNA damage
- TEST SYSTEM :
- Human HeLa cell
- DOSE/DURATION :
- 20 umol/L
- REFERENCE :
- BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 25,821,1976 *** REVIEWS *** TOXICOLOGY REVIEW MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 39,111,1977 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 72890 No. of Facilities: 435 (estimated) No. of Industries: 2 No. of Occupations: 4 No. of Employees: 4353 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 72890 No. of Facilities: 347 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 1341 (estimated) No. of Female Employees: 1152 (estimated)
Safety Information
| Symbol | GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H300 |
| Precautionary Statements | P264-P301 + P310 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard Codes | T+:Verytoxic; |
| Risk Phrases | R28;R52/53 |
| Safety Phrases | S22-S26-S36/37-S45-S61-S28A |
| RIDADR | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | VT4200000 |
| Packaging Group | II |
| Hazard Class | 6.1 |
| HS Code | 2942000000 |
Customs
| HS Code | 2930909059 |
|---|---|
| Summary | HS:2930909059 hydrazinecarbothioamide VAT:17.0% Tax rebate rate:9.0% Supervision conditions:S MFN tariff:6.5% General tariff:30.0% |
Articles31
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| Rhenium mixed-ligand complexes with S,N,S-tridentate thiosemicarbazone/thiosemicarbazide ligands. Dalton Trans. 42(14) , 5111-21, (2013) Rhenium(V) complexes containing tridentate thiosemicarbazones/thiosemicarbazides (H2L1) derived from N-[N′,N′-dialkylamino(thiocarbonyl)]benzimidoyl chlorides with 4,4-dialkylthiosemicarbazides have b... | |
| Synthesis and antityrosinase mechanism of benzaldehyde thiosemicarbazones: novel tyrosinase inhibitors. J. Agric. Food Chem. 60(6) , 1542-7, (2012) p-Hydroxybenzaldehyde thiosemicarbazone (HBT) and p-methoxybenzaldehyde thiosemicarbazone (MBT) were synthesized and established by (1)H NMR and mass spectra. Both compounds were evaluated for their i... |
Synonyms
| Thiosemicarbazide |
| N-aminothiourea |
| hydrazinecarbothioamide |
| EINECS 201-184-7 |
| MFCD00007620 |
