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

Modify Date: 2024-01-08 17:29:41

3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Structure
3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione structure
 Common Name 3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
CAS Number 54649-00-2 Molecular Weight 334.43800
Density 1.3g/cm3 Boiling Point 536ºC at 760 mmHg
Molecular Formula C19H18N4S Melting Point N/A
MSDS N/A Flash Point 278ºC

 Names

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

 Chemical & Physical Properties

Density 1.3g/cm3
Boiling Point 536ºC at 760 mmHg
Molecular Formula C19H18N4S
Molecular Weight 334.43800
Flash Point 278ºC
Exact Mass 334.12500
PSA 85.30000
LogP 4.24490
Index of Refraction 1.708

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5359150
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((2-methyl-1H-indol-3-yl)methyl)-4- (4-methylphenyl)-
CAS REGISTRY NUMBER :
54649-00-2
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 :
500 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

 Synthetic Route

1-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-(4-methylphenyl)thiourea structure

1-[[2-(2-methyl...

CAS#:54648-92-9

~73%

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

3-[(2-methyl-1H...

CAS#:54649-00-2

Literature: Kadry; Badawy; Hanna Pharmazie, 1986 , vol. 41, # 8 p. 558 - 559
(2-methyl-indol-3-yl)-acetic acid hydrazide structure

(2-methyl-indol...

CAS#:21909-51-3

~%

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

3-[(2-methyl-1H...

CAS#:54649-00-2

Literature: Kadry; Badawy; Hanna Pharmazie, 1986 , vol. 41, # 8 p. 558 - 559
4-Methylphenyl isothiocyanate structure

4-Methylphenyl ...

CAS#:622-59-3

~%

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

3-[(2-methyl-1H...

CAS#:54649-00-2

Literature: Kadry; Badawy; Hanna Pharmazie, 1986 , vol. 41, # 8 p. 558 - 559
1H-Indole-3-aceticacid, 2-methyl-, ethyl ester structure

1H-Indole-3-ace...

CAS#:21909-49-9

~%

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

3-[(2-methyl-1H...

CAS#:54649-00-2

Literature: Sengupta, Anil K.; Gupta, Anurag Ateet Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 3 p. 263 - 266
Phenylhydrazine hydrochloride structure

Phenylhydrazine...

CAS#:59-88-1

~%

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

3-[(2-methyl-1H...

CAS#:54649-00-2

Literature: Sengupta, Anil K.; Gupta, Anurag Ateet Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 3 p. 263 - 266
Levulinic acid structure

Levulinic acid

CAS#:123-76-2

~%

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

3-[(2-methyl-1H...

CAS#:54649-00-2

Literature: Sengupta, Anil K.; Gupta, Anurag Ateet Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 3 p. 263 - 266

 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#:54649-00-2 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione>> amp version: 3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione

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