3-[(2-methyl-1H-indol-3-yl)methyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione

Modify Date: 2025-09-23 11:20:28

3-[(2-methyl-1H-indol-3-yl)methyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione Structure
3-[(2-methyl-1H-indol-3-yl)methyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione structure
 Common Name 3-[(2-methyl-1H-indol-3-yl)methyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
CAS Number 54648-88-3 Molecular Weight 334.43800
Density 1.3g/cm3 Boiling Point 536.2ºC at 760 mmHg
Molecular Formula C19H18N4S Melting Point N/A
MSDS N/A Flash Point 278.1ºC

 Names

Name 3-[(2-methyl-1H-indol-3-yl)methyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione

 Chemical & Physical Properties

Density 1.3g/cm3
Boiling Point 536.2ºC at 760 mmHg
Molecular Formula C19H18N4S
Molecular Weight 334.43800
Flash Point 278.1ºC
Exact Mass 334.12500
PSA 85.30000
LogP 4.24490
Index of Refraction 1.708
InChIKey VUCPLMJTQLWKAM-UHFFFAOYSA-N
SMILES Cc1cccc(-n2c(Cc3c(C)[nH]c4ccccc34)n[nH]c2=S)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5359140
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((2-methyl-1H-indol-3-yl)methyl)-4- (3-methylphenyl)-
CAS REGISTRY NUMBER :
54648-88-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H18-N4-S
MOLECULAR WEIGHT :
334.47

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
450 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
CNJPAZ Canadian Journal of Pharmaceutical Sciences. (Toronto, Ont., Canada) V.1-16, 1966-81. Discontinued. Volume(issue)/page/year: 9,108,1974

 Safety Information

HS Code 2933990090

 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%
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Chemsrc provides CAS#:54648-88-3 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-[(2-methyl-1H-indol-3-yl)methyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione>> amp version: 3-[(2-methyl-1H-indol-3-yl)methyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione

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