4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole

Names

[ CAS No. ]:
25812-76-4

[ Name ]:
4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole

[Synonym ]:
4-methyl-3-phenyl-5-methylthio-4H-1,2,4-triazole
4-Methyl-5-methylthio-3-phenyl-1,2,4-triazol
3-Phenyl-4-methyl-5-methylmercapto-1,2,4-triazol

Chemical & Physical Properties

[ Density]:
1.21g/cm3

[ Boiling Point ]:
387.9ºC at 760 mmHg

[ Molecular Formula ]:
C10H11N3S

[ Molecular Weight ]:
205.27900

[ Flash Point ]:
188.4ºC

[ Exact Mass ]:
205.06700

[ PSA ]:
56.01000

[ LogP ]:
2.20400

[ Vapour Pressure ]:
3.19E-06mmHg at 25°C

[ Index of Refraction ]:
1.639

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4961200
CHEMICAL NAME :
1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-
CAS REGISTRY NUMBER :
25812-76-4
BEILSTEIN REFERENCE NO. :
0168782
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H11-N3-S
MOLECULAR WEIGHT :
205.30

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 :
>800 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: 37,125,1994

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione
  • methyl iodide
  • BUTTPARK 58\40-77
  • Benzohydrazide

DownStream

  • 4-methyl-3-methylsulfonyl-5-phenyl-1,2,4-triazole

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%

Related Compounds

  • 4-methyl-3-methylsulfinyl-5-phenyl-1,2,4-triazole
  • 4-methyl-3-methylsulfonyl-5-phenyl-1,2,4-triazole
  • 4-methyl-3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazole
  • 4-methyl-3-methylsulfanyl-5-naphthalen-2-yl-1,2,4-triazole
  • 4-Methyl-3-methylsulfanyl-5-pyrrolidin-2-yl-4H-[1,2,4]triazole hydrochloride
  • 4-methyl-3-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,2,4-triazole
  • 1-Bromo-2,2-difluoro-5,5-dimethylhexane
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide