5-(2-CHLOROPHENYL)-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL

Modify Date: 2025-10-02 14:20:46

5-(2-CHLOROPHENYL)-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL structure	Common Name	5-(2-CHLOROPHENYL)-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
	CAS Number	80590-50-7	Molecular Weight	225.69800
	Density	1.43g/cm3	Boiling Point	306ºC at 760 mmHg
	Molecular Formula	C₉H₈ClN₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	138.8ºC

Name	3-(2-chlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione

Density	1.43g/cm3
Boiling Point	306ºC at 760 mmHg
Molecular Formula	C₉H₈ClN₃S
Molecular Weight	225.69800
Flash Point	138.8ºC
Exact Mass	225.01300
PSA	69.51000
LogP	2.42420
Index of Refraction	1.696
InChIKey	DNWADAKXAKNOFG-UHFFFAOYSA-N
SMILES	Cn1c(-c2ccccc2Cl)n[nH]c1=S

Hazard Codes	Xi: Irritant;
HS Code	2933990090

N/A

CAS#:154106-05-5

~74%

5-(2-CHLOROPHEN...

CAS#:80590-50-7

Literature: Kane; Staeger; Dalton; Miller; Dudley; Ogden; Kehne; Ketteler; McCloskey; Senyah; Chmielewski Journal of Medicinal Chemistry, 1994 , vol. 37, # 1 p. 125 - 132

2-Chlorobenzohy...

CAS#:5814-05-1

5-(2-CHLOROPHEN...

CAS#:80590-50-7

Literature: Kane; Staeger; Dalton; Miller; Dudley; Ogden; Kehne; Ketteler; McCloskey; Senyah; Chmielewski Journal of Medicinal Chemistry, 1994 , vol. 37, # 1 p. 125 - 132

Precursor 1
CAS#:5814-05-1 2-Chlorobenzohy...
DownStream 0

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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