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

Modify Date: 2024-02-05 18:56:49

2-(5-(Ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)phenol Structure
2-(5-(Ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)phenol structure
 Common Name 2-(5-(Ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)phenol
CAS Number 81518-44-7 Molecular Weight 311.40100
Density 1.24g/cm3 Boiling Point 453.3ºC at 760 mmHg
Molecular Formula C17H17N3OS Melting Point N/A
MSDS N/A Flash Point 227.9ºC

 Names

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

 Chemical & Physical Properties

Density 1.24g/cm3
Boiling Point 453.3ºC at 760 mmHg
Molecular Formula C17H17N3OS
Molecular Weight 311.40100
Flash Point 227.9ºC
Exact Mass 311.10900
PSA 75.98000
LogP 2.74770
Index of Refraction 1.65

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SL4517000
CHEMICAL NAME :
Phenol, 2-(5-(ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol- 3-yl)-
CAS REGISTRY NUMBER :
81518-44-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H17-N3-O-S
MOLECULAR WEIGHT :
311.43

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

(6Z)-6-[4-(2-Methylphenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]- 2,4-cyclohexadien-1-one structure

(6Z)-6-[4-(2-Me...

CAS#:81518-28-7

~73%

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

2-(5-(Ethylthio...

CAS#:81518-44-7

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-(2-Hydroxy-benzoyl)-4-(2-methyl-phenyl)-thiosemicarbazid structure

1-(2-Hydroxy-be...

CAS#:81518-25-4

~%

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

2-(5-(Ethylthio...

CAS#:81518-44-7

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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