3-Pyridinecarbothioamide

Modify Date: 2024-01-03 14:21:04

3-Pyridinecarbothioamide Structure
3-Pyridinecarbothioamide structure
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 N/A 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

 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

~95%

3-Pyridinecarbothioamide Structure

3-Pyridinecarbo...

CAS#:4621-66-3

Literature: Bagley, Mark C.; Chapaneri, Krishna; Glover, Christian; Merritt, Eleanor A. Synlett, 2004 , # 14 p. 2615 - 2617

~96%

3-Pyridinecarbothioamide Structure

3-Pyridinecarbo...

CAS#:4621-66-3

Literature: Kaleta, Zoltan; Tarkanyi, Gabor; Goemoery, Agnes; Kalman, Ferenc; Nagy, Tamas; Soos, Tibor Organic Letters, 2006 , vol. 8, # 6 p. 1093 - 1095

 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