3-(2-Chlorophenyl)-4-phenyl-5-(2-propenylthio)-4H-1,2,4-triazole

Modify Date: 2026-07-03 13:26:48

3-(2-Chlorophenyl)-4-phenyl-5-(2-propenylthio)-4H-1,2,4-triazole Structure
3-(2-Chlorophenyl)-4-phenyl-5-(2-propenylthio)-4H-1,2,4-triazole structure
 Common Name 3-(2-Chlorophenyl)-4-phenyl-5-(2-propenylthio)-4H-1,2,4-triazole
CAS Number 81518-31-2 Molecular Weight 327.83100
Density 1.24g/cm3 Boiling Point 505.3ºC at 760 mmHg
Molecular Formula C17H14ClN3S Melting Point N/A
MSDS N/A Flash Point 259.4ºC

 Names

Name 3-(2-chlorophenyl)-4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazole

 Chemical & Physical Properties

Density 1.24g/cm3
Boiling Point 505.3ºC at 760 mmHg
Molecular Formula C17H14ClN3S
Molecular Weight 327.83100
Flash Point 259.4ºC
Exact Mass 327.06000
PSA 56.01000
LogP 4.86580
Index of Refraction 1.643
InChIKey KDPVCRXZJIMMRT-UHFFFAOYSA-N
SMILES C=CCSc1nnc(-c2ccccc2Cl)n1-c1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4500650
CHEMICAL NAME :
4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-phenyl-5-(2-propenylthio)-
CAS REGISTRY NUMBER :
81518-31-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H14-Cl-N3-S
MOLECULAR WEIGHT :
327.85

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 :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 20,1017,1981

 Synthetic Route

WL-149027 structure

WL-149027

CAS#:23711-34-4

~78%

3-(2-Chlorophenyl)-4-phenyl-5-(2-propenylthio)-4H-1,2,4-triazole Structure

3-(2-Chlorophen...

CAS#:81518-31-2

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Literature: Tandon, M.; Barthwal, J. P.; Bhalla, T. N.; Bhargava, K. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1981 , vol. 20, # 11 p. 1017 - 1018
1-(o-chlorobenzoyl)-4-phenyl-3-thiosemicarbazide structure

1-(o-chlorobenz...

CAS#:26036-04-4

~%

3-(2-Chlorophenyl)-4-phenyl-5-(2-propenylthio)-4H-1,2,4-triazole Structure

3-(2-Chlorophen...

CAS#:81518-31-2

Learn More
Literature: Tandon, M.; Barthwal, J. P.; Bhalla, T. N.; Bhargava, K. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1981 , vol. 20, # 11 p. 1017 - 1018
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Chemsrc provides CAS#:81518-31-2 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-(2-Chlorophenyl)-4-phenyl-5-(2-propenylthio)-4H-1,2,4-triazole>> amp version: 3-(2-Chlorophenyl)-4-phenyl-5-(2-propenylthio)-4H-1,2,4-triazole

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