3652-31-1

3652-31-1 structure
3652-31-1 structure
  • Name: 4-METHYL-5-PYRIDIN-3-YL-4H-[1,2,4]TRIAZOLE-3-THIOL
  • Chemical Name: 4-methyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
  • CAS Number: 3652-31-1
  • Molecular Formula: C8H8N4S
  • Molecular Weight: 192.24100
  • Create Date: 2018-11-28 12:28:42
  • Modify Date: 2024-01-30 22:47:31

Name 4-methyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Synonyms 4-Methyl-5-(pyrid-3yl)-4H-1,2,4-triazole-3-thiol
4-methyl-5-(3-pyridinyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-methyl-5-pyridin-3-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Pyridine,3-(3-mercapto-4-methyl-5-(4H-1,2,4-triazolyl))
4-methyl-5-(3-pyridyl)-1,2,4-triazole-3-thiol
3-Mercapto-4-methyl-5-(3-pyridyl)-1,2,4-triazole
4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
4-methyl-3-(3-pyridyl)-4h-1,2,4-triazole-5-thiol
4H-1,2,4-Triazole-3-thiol,4-methyl-5-(3-pyridyl)
Density 1.4g/cm3
Boiling Point 294.6ºC at 760 mmHg
Molecular Formula C8H8N4S
Molecular Weight 192.24100
Flash Point 132ºC
Exact Mass 192.04700
PSA 82.40000
LogP 1.16580
Index of Refraction 1.727

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UT4560000
CHEMICAL NAME :
Pyridine, 3-(3-mercapto-4-methyl-5-(4H-1,2,4-triazolyl))-
CAS REGISTRY NUMBER :
3652-31-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H8-N4-S
MOLECULAR WEIGHT :
192.26
WISWESSER LINE NOTATION :
T6NJ C- CT5NN DNJ D1 ESH

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 :
850 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 8,676,1965
HS Code 2933990090

~94%

3652-31-1 structure

3652-31-1

Literature: ASTRAZENECA AB; NPS PHARMACEUTICALS, INC. Patent: WO2005/80356 A1, 2005 ; Location in patent: Page/Page column 92-93 ; WO 2005/080356 A1

~%

3652-31-1 structure

3652-31-1

Literature: WO2005/80379 A1, ; Page/Page column 39 ; WO 2005/080379 A1
Precursor  3

DownStream  0

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%