4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione

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Names

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

[Synonym ]:
4-methyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
4H-1,2,4-Triazole-3-thiol,4-methyl-5-phenyl
2,4-Dihydro-4-methyl-5-phenyl-3H-1,2,4-triazole-3-thione
ENT 25,558-X
5-phenyl-4-methyl-3H-1,2,4-triazole-3-thione
5-phenyl-4-methyl-1,2,4-triazoline-3-thione
4-methyl-5-phenyl-1,2,4-triazole-3-thiol

Chemical & Physical Properties

[ Density]:
1.28g/cm3

[ Boiling Point ]:
270.1ºC at 760mmHg

[ Molecular Formula ]:
C₉H₉N₃S

[ Molecular Weight ]:
191.25300

[ Flash Point ]:
117.1ºC

[ Exact Mass ]:
191.05200

[ PSA ]:
65.70000

[ LogP ]:
2.14470

[ Index of Refraction ]:
1.68

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ5350000

CHEMICAL NAME :: 4H-1,2,4-Triazole-3-thiol, 4-methyl-5-phenyl-

CAS REGISTRY NUMBER :: 38942-51-7

LAST UPDATED :: 199509

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C9-H9-N3-S

MOLECULAR WEIGHT :: 191.27

WISWESSER LINE NOTATION :: T5NN DNJ CSH D1 ER

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 :: 3 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARSIM* Agricultural Research Service, USDA Information Memorandum. (Beltsville, MD 20705) Volume(issue)/page/year: 20,10,1966

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: 31,1253,1988

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

BUTTPARK 58\40-77
SodiuM bicarbonate
Hydrazinecarbothioamide,N-methyl-2-(phenylmethylene)-
Benzohydrazide
Benzoyl chloride
Methyl isothiocyanate
benzoic acid
Methyl benzoate

DownStream

4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole
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-(thiophen-2-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione
4-methyl-3-piperidin-1-yl-1H-1,2,4-triazole-5-thione
4-methyl-3-(5-nitrofuran-2-yl)-1H-1,2,4-triazole-5-thione
4-(2-methylpropyl)-3-phenyl-1H-1,2,4-triazole-5-thione
4-[(3-methylphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
4-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole-5-thione
2-(((Benzyloxy)carbonyl)(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)amino)acetic acid
Ethyl 3-bromo-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
tert-butyl 7-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate
tert-butyl 8-amino-3,3a-dihydro-1H-benzofuro[2,3-c]pyrrole-2(8bH)-carboxylate
6-tert-butyl3-ethyl1-methyl-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-3,6(7H)-dicarboxylate
Tert-butyl 5-bromo-3-(((tert-butyldimethylsilyl)oxy)methyl)-7-carbamoyl-3-methylindoline-1-carboxylate
8-Bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylicacid
5-tert-butyl 3-ethyl 2-(1-benzylpyrrolidin-3-yl)-6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate
5-tert-butyl3-ethyl1-(1-benzylpyrrolidin-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate
Ethyl1-(4-oxochroman-7-yl)cyclopentanecarboxylate

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