Introduction:Basic information about CAS 4076-02-2|unithiol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | unithiol |
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| CAS Number | 4076-02-2 | Molecular Weight | 210.271 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C3H7NaO3S3 | Melting Point | 215 °C (dec.) |
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| MSDS | / | Flash Point | / |
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Names
| Name | Sodium 2,3-dimercapto-1-propanesulfonate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Melting Point | 215 °C (dec.) |
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| Molecular Formula | C3H7NaO3S3 |
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| Molecular Weight | 210.271 |
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| Exact Mass | 209.945496 |
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| PSA | 143.18000 |
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| LogP | 0.84060 |
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| InChIKey | FGGPAWQCCGEWTJ-UHFFFAOYSA-M |
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| SMILES | O=S(=O)([O-])CC(S)CS.[Na+] |
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| Storage condition | 2-8°C |
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| Water Solubility | H2O: 0.1 g/mL, clear |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TZ6420000
- CHEMICAL NAME :
- 1-Propanesulfonic acid, 2,3-dimercapto-, monosodium salt
- CAS REGISTRY NUMBER :
- 4076-02-2
- LAST UPDATED :
- 199309
- DATA ITEMS CITED :
- 12
- MOLECULAR FORMULA :
- C3-H7-O3-S3.Na
- MOLECULAR WEIGHT :
- 210.27
- WISWESSER LINE NOTATION :
- WSO&1YSH1SH &-NA-
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1055 mg/kg
- TOXIC EFFECTS :
- Behavioral - excitement Behavioral - withdrawal Skin and Appendages - dermatitis, other (after systemic exposure)
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1500 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - muscle weakness Lungs, Thorax, or Respiration - dyspnea
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1098 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 :
- 1 gm/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 :
- 22709 mg/kg/36W-I
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - changes in metals, not otherwise specified
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 8190 mg/kg/26W-I
- TOXIC EFFECTS :
- Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Nutritional and Gross Metabolic - changes in metals, not otherwise specified
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 105 gm/kg/10W-I
- TOXIC EFFECTS :
- Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Nutritional and Gross Metabolic - changes in metals, not otherwise specified Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 10500 mg/kg/10W-I
- TOXIC EFFECTS :
- Blood - pigmented or nucleated red blood cells Nutritional and Gross Metabolic - changes in metals, not otherwise specified Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 2730 mg/kg/26W-I
- TOXIC EFFECTS :
- Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 28 gm/kg
- SEX/DURATION :
- female 26 week(s) pre-mating - 21 day(s) post-birth
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 750 mg/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
MUTATION DATA - TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Human Lymphocyte
- DOSE/DURATION :
- 1 mmol/L
- REFERENCE :
- CYGEDX Cytology and Genetics (English Translation). Translation of TGANAK. (Allerton Press Inc., 150 Fifth Ave., New York, NY 10011) V.8- 1974- Volume(issue)/page/year: 8(4),31,1974
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Safety Information
| Hazard Codes | Xi |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S24/25 |
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| WGK Germany | 3 |
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| RTECS | TZ6420000 |
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| HS Code | 2930909090 |
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Customs
| HS Code | 2930909090 |
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| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| 2,3-Dimercaptopropylsulphonica |
| Dimaval |
| DIMERCAPTOPROPANESULPHONICACID |
| unitiol |
| Sodium 2,3-disulfanyl-1-propanesulfonate |
| 2,3-DICHLORO-5-FORMYLPYRIDINE |
| 2,3-dimercaptopropane-1-sulfonic acid sodium salt |
| EINECS 223-796-3 |
| MFCD00007523 |
| 1-Propanesulfonic acid, 2,3-dimercapto-, monosodium salt |
| sodium 2,3-disulfanylpropane-1-sulfonate |
| SodiumDimercaptopropanesulfonate |
| unithiol |
| sodium 2,3-mercapto-1-propanesulfonate |
| antidote |
| Unithiolum |
| 1-Propanesulfonic acid, 2,3-dimercapto-, sodium salt (1:1) |
| sodium 2,3-dimercaptopropane-1-sulfonate |
| UNII:690VN2L7TK |
| 2,3-sulfonate |
| 2,3-DIMERCAPTOPROPANESULPHONATE |