3-Pyridinecarbothioamide

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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

Click to get detail 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

Click to get detail 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%

Related Compounds

  • 3-Pyridinecarbothioamide,S-oxide
  • 6-Amino-3-pyridinecarbothioamide
  • 3-Pyridinecarbothioamide,N-methyl
  • 3-pyridinecarbothioamide,6-propyl
  • 3-Pyridinecarbothioamide,N,N-dimethyl
  • 3-Pyridinecarbothioamide, N,N-diethyl-
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 3-(2-Chloro-1,3-thiazol-5-yl)-5-(difluoromethyl)-1,2-oxazole-4-carboxylic acid
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 2-({1-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentanecarbonyl]azetidin-3-yl}oxy)acetic acid