3-Pyridinecarbothioamide
Names
[ CAS No. ]:
4621-66-3
[ Name ]:
3-Pyridinecarbothioamide
[Synonym ]:
3-Pyridylthiocarboxamide
MFCD00006399
ThionicotinaMide
pyridine-3-carbothioamide
3-Pyridinecarbothioamide
EINECS 225-036-6
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
MSDS
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 DATA
ACUTE 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
Synthetic Route
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%