4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol

Modify Date: 2025-09-04 17:34:56

4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol Structure
4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol structure
Common Name 4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol
CAS Number 3652-32-2 Molecular Weight 192.24100
Density 1.4g/cm3 Boiling Point 294.6ºC at 760mmHg
Molecular Formula C8H8N4S Melting Point N/A
MSDS N/A Flash Point 132ºC

 Names

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

 Chemical & Physical Properties

Density 1.4g/cm3
Boiling Point 294.6ºC at 760mmHg
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 ACDUEIIMRXEFHO-UHFFFAOYSA-N
SMILES Cn1c(-c2ccncc2)n[nH]c1=S

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UT4565000
CHEMICAL NAME :
Pyridine, 4-(3-mercapto-4-methyl-5-(4H-1,2,4-triazolyl))-
CAS REGISTRY NUMBER :
3652-32-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H8-N4-S
MOLECULAR WEIGHT :
192.26
WISWESSER LINE NOTATION :
T6NJ D- 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 :
1100 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

Hazard Codes Xi: Irritant;
HS Code 2933990090

 Synthetic Route

~79%

4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol Structure

4-Methyl-5-pyri...

CAS#:3652-32-2

Literature: Brown; Cowden Australian Journal of Chemistry, 1983 , vol. 36, # 7 p. 1469 - 1475

~56%

4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol Structure

4-Methyl-5-pyri...

CAS#:3652-32-2

Literature: ASTRAZENECA AB; NPS PHARMACEUTICALS, INC. Patent: WO2005/80356 A1, 2005 ; Location in patent: Page/Page column 57 ; WO 2005/080356 A1

~%

4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol Structure

4-Methyl-5-pyri...

CAS#:3652-32-2

Literature: US4900743 A1, ;

~%

4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol Structure

4-Methyl-5-pyri...

CAS#:3652-32-2

Literature: Australian Journal of Chemistry, , vol. 36, # 7 p. 1469 - 1475

 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%

 Bioassay

View more

Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2
Name: Antiamoebic activity against Entamoeba histolytica HK9 ATCC 30015 by trypan blue stai...
Source: ChEMBL
Target: Entamoeba histolytica
External Id: CHEMBL4814681
Name: Antigiardial activity against Giardia intestinalis WB ATCC 30957 by trypan blue stain...
Source: ChEMBL
Target: Giardia intestinalis
External Id: CHEMBL4814682
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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 Synonyms

4-methyl-3-(pyridin-4-yl)-1H-1,2,4-triazol-5(4H)-thione
4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol
3-Mercapto-4-methyl-5-(4-pyridyl)-1,2,4-triazole
4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thiol
4H-1,2,4-Triazole-3-thiol,4-methyl-5-(4-pyridyl)
MFCD00112607
Pyridine,4-(3-mercapto-4-methyl-5-(4H-1,2,4-triazolyl))
4-methyl-5-pyridin-4-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-methyl-5-pyridin-4-yl-2,4-dihydro-[1,2,4]triazole-3-thione
4-Methyl-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol
4-methyl-5-(pyridin-4'-yl)-1,2,4-triazole-3(2H)-thione
2,4-Dihydro-4-methyl-5-(4-pyridyl)-3H-1,2,4-triazole-3-thione
2,4-Dihydro-4-methyl-5-(pyridin-4-yl)-3H-1,2,4-triazole-3-thione
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