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

Modify Date: 2025-08-24 21:28:05

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
InChIKey FTWADHGHCZRHFC-UHFFFAOYSA-N
SMILES Cn1c(-c2cccnc2)n[nH]c1=S

 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

Nicotinohydrazide structure

Nicotinohydrazide

CAS#:553-53-7

Methyl isothiocyanate structure

Methyl isothioc...

CAS#:556-61-6

~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-1-nicotinoyl-thiosemicarbazide structure

4-methyl-1-nico...

CAS#:3683-36-1

~%

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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Chemsrc provides CAS#:3652-31-1 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-METHYL-5-PYRIDIN-3-YL-4H-[1,2,4]TRIAZOLE-3-THIOL>> amp version: 4-METHYL-5-PYRIDIN-3-YL-4H-[1,2,4]TRIAZOLE-3-THIOL

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