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

Modify Date: 2024-01-29 10:34:47

4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione Structure
4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione structure
 Common Name 4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione
CAS Number 38942-51-7 Molecular Weight 191.25300
Density 1.28g/cm3 Boiling Point 270.1ºC at 760mmHg
Molecular Formula C9H9N3S Melting Point N/A
MSDS N/A Flash Point 117.1ºC

 Names

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

 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

BUTTPARK 58\40-77 structure

BUTTPARK 58\40-77

CAS#:58064-65-6

~87%

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

4-methyl-3-phen...

CAS#:38942-51-7

Literature: Samanta, Sanjay; Lim, Ting Liang; Lam, Yulin ChemMedChem, 2013 , vol. 8, # 6 p. 994 - 1001
BUTTPARK 58\40-77 structure

BUTTPARK 58\40-77

CAS#:58064-65-6

SodiuM bicarbonate structure

SodiuM bicarbonate

CAS#:144-55-8

~%

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

4-methyl-3-phen...

CAS#:38942-51-7

Literature: Merrell Dow Pharmaceuticals Inc. Patent: US5143933 A1, 1992 ;
Hydrazinecarbothioamide,N-methyl-2-(phenylmethylene)- structure

Hydrazinecarbot...

CAS#:2613-12-9

~72%

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

4-methyl-3-phen...

CAS#:38942-51-7

Literature: Milcent, Rene; Nguyen, Thu-Huong Journal of Heterocyclic Chemistry, 1986 , vol. 23, # 3 p. 881 - 883
Benzohydrazide structure

Benzohydrazide

CAS#:613-94-5

~%

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

4-methyl-3-phen...

CAS#:38942-51-7

Literature: Samanta, Sanjay; Lim, Ting Liang; Lam, Yulin ChemMedChem, 2013 , vol. 8, # 6 p. 994 - 1001
Benzoyl chloride structure

Benzoyl chloride

CAS#:98-88-4

~%

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

4-methyl-3-phen...

CAS#:38942-51-7

Literature: Hoggarth Journal of the Chemical Society, 1949 , p. 1163,1167 Journal of the Chemical Society, 1950 , p. 1579,1581
Benzohydrazide structure

Benzohydrazide

CAS#:613-94-5

Methyl isothiocyanate structure

Methyl isothioc...

CAS#:556-61-6

~78%

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

4-methyl-3-phen...

CAS#:38942-51-7

Literature: Rostamizadeh, Shahnaz; Mollahoseini, Kambiz; Moghadasi, Samar Phosphorus, Sulfur and Silicon and the Related Elements, 2006 , vol. 181, # 8 p. 1839 - 1845
benzoic acid structure

benzoic acid

CAS#:65-85-0

~%

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

4-methyl-3-phen...

CAS#:38942-51-7

Literature: Samanta, Sanjay; Lim, Ting Liang; Lam, Yulin ChemMedChem, 2013 , vol. 8, # 6 p. 994 - 1001
Methyl benzoate structure

Methyl benzoate

CAS#:93-58-3

~%

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

4-methyl-3-phen...

CAS#:38942-51-7

Literature: Samanta, Sanjay; Lim, Ting Liang; Lam, Yulin ChemMedChem, 2013 , vol. 8, # 6 p. 994 - 1001

 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%

 Synonyms

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
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Chemsrc provides CAS#:38942-51-7 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione>> amp version: 4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione

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