4-METHYL-5-PYRIDIN-3-YL-4H-[1,2,4]TRIAZOLE-3-THIOL

Modify Date: 2024-01-30 22:47:31

4-METHYL-5-PYRIDIN-3-YL-4H-[1,2,4]TRIAZOLE-3-THIOL Structure
4-METHYL-5-PYRIDIN-3-YL-4H-[1,2,4]TRIAZOLE-3-THIOL structure
Common Name 4-METHYL-5-PYRIDIN-3-YL-4H-[1,2,4]TRIAZOLE-3-THIOL
CAS Number 3652-31-1 Molecular Weight 192.24100
Density 1.4g/cm3 Boiling Point 294.6ºC at 760 mmHg
Molecular Formula C8H8N4S Melting Point N/A
MSDS N/A Flash Point 132ºC

 Names

Name 4-methyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Synonym More Synonyms

 Chemical & Physical Properties

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

 Toxicological Information

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

 Safety Information

HS Code 2933990090

 Synthetic Route

~94%

4-METHYL-5-PYRIDIN-3-YL-4H-[1,2,4]TRIAZOLE-3-THIOL Structure

4-METHYL-5-PYRI...

CAS#: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

~%

4-METHYL-5-PYRIDIN-3-YL-4H-[1,2,4]TRIAZOLE-3-THIOL Structure

4-METHYL-5-PYRI...

CAS#:3652-31-1

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

 Customs

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%

 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)
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