2-(5-(Ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol

Modify Date: 2025-08-20 07:32:36

2-(5-(Ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol Structure
2-(5-(Ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol structure
 Common Name 2-(5-(Ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol
CAS Number 81518-34-5 Molecular Weight 297.37500
Density 1.26g/cm3 Boiling Point 442.6ºC at 760 mmHg
Molecular Formula C16H15N3OS Melting Point N/A
MSDS N/A Flash Point 221.5ºC

 Names

Name (6Z)-6-[5-(Ethylsulfanyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3 -ylidene]-2,4-cyclohexadien-1-one

 Chemical & Physical Properties

Density 1.26g/cm3
Boiling Point 442.6ºC at 760 mmHg
Molecular Formula C16H15N3OS
Molecular Weight 297.37500
Flash Point 221.5ºC
Exact Mass 297.09400
PSA 75.98000
LogP 2.43930
Index of Refraction 1.661
InChIKey GDXHNHPMQNBGGB-UHFFFAOYSA-N
SMILES CCSc1nnc(-c2ccccc2O)n1-c1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SL4518000
CHEMICAL NAME :
Phenol, 2-(5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)-
CAS REGISTRY NUMBER :
81518-34-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H15-N3-O-S
MOLECULAR WEIGHT :
297.40

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

4-phenyl-5-(2'-hydroxyphenyl)-3-mercapto-1,2,4-triazole structure

4-phenyl-5-(2'-...

CAS#:81518-26-5

~85%

2-(5-(Ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol Structure

2-(5-(Ethylthio...

CAS#:81518-34-5

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
4-phenyl-1-(2-hydroxybenzoyl)thiosemicarbazide structure

4-phenyl-1-(2-h...

CAS#:37536-32-6

~%

2-(5-(Ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol Structure

2-(5-(Ethylthio...

CAS#:81518-34-5

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#:81518-34-5 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-(5-(Ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol>> amp version: 2-(5-(Ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol

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