81518-28-7

81518-28-7 structure

81518-28-7 structure

Name: (6Z)-6-[4-(2-Methylphenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]- 2,4-cyclohexadien-1-one
Chemical Name: (6Z)-6-[4-(2-Methylphenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]- 2,4-cyclohexadien-1-one
CAS Number: 81518-28-7
Molecular Formula: C₁₅H₁₃N₃OS
Molecular Weight: 283.34800
Create Date: 2016-06-12 18:07:49
Modify Date: 2024-02-25 21:03:21

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

Density	1.39g/cm3
Boiling Point	418.6ºC at 760 mmHg
Molecular Formula	C₁₅H₁₃N₃OS
Molecular Weight	283.34800
Flash Point	206.9ºC
Exact Mass	283.07800
PSA	89.48000
LogP	1.92440
Index of Refraction	1.739

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ5359089

CHEMICAL NAME :: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-hydroxyphenyl)-4-(2-methylphenyl)-

CAS REGISTRY NUMBER :: 81518-28-7

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C15-H13-N3-O-S

MOLECULAR WEIGHT :: 283.37

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

81518-25-4 structure

81518-25-4

~88%

81518-28-7 structure

81518-28-7

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