Introduction：Basic information about CAS 4621-66-3|3-Pyridinecarbothioamide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Pyridinecarbothioamide |
|---|
| CAS Number | 4621-66-3 | Molecular Weight | 138.190 |
|---|
| Density | 1.3±0.1 g/cm3 | Boiling Point | 278.9±32.0 °C at 760 mmHg |
|---|
| Molecular Formula | C6H6N2S | Melting Point | 185-190 °C |
|---|
| MSDS | / | Flash Point | 122.5±25.1 °C |
|---|
Names
| Name | Thionicotinamide |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|
| Boiling Point | 278.9±32.0 °C at 760 mmHg |
|---|
| Melting Point | 185-190 °C |
|---|
| Molecular Formula | C6H6N2S |
|---|
| Molecular Weight | 138.190 |
|---|
| Flash Point | 122.5±25.1 °C |
|---|
| Exact Mass | 138.025162 |
|---|
| PSA | 71.00000 |
|---|
| LogP | 0.67 |
|---|
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
|---|
| Index of Refraction | 1.664 |
|---|
| InChIKey | XQWBMZWDJAZPPX-UHFFFAOYSA-N |
|---|
| SMILES | NC(=S)c1cccnc1 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- QS4488000
- CHEMICAL NAME :
- Nicotinamide, thio-
- CAS REGISTRY NUMBER :
- 4621-66-3
- BEILSTEIN REFERENCE NO. :
- 0109593
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C6-H6-N2-S
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1750 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JOCEAH Journal of Organic Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1936- Volume(issue)/page/year: 19,753,1954
- TYPE OF TEST :
- LD25 - Lethal Dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 105 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 64,528,1975
|
Safety Information
| Hazard Codes | Xn: Harmful; |
|---|
| Risk Phrases | R22 |
|---|
| Safety Phrases | S24/25-S36-S26 |
|---|
| RTECS | QS4488000 |
|---|
| HS Code | 2933399090 |
|---|
Customs
| HS Code | 2933399090 |
|---|
| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|---|
Synonyms
| 3-Pyridylthiocarboxamide |
| MFCD00006399 |
| ThionicotinaMide |
| pyridine-3-carbothioamide |
| 3-Pyridinecarbothioamide |
| EINECS 225-036-6 |
