((3-Methylphenyl)amino)ethanethioic acid S-1H-benzimidazol-2-yl ester

Modify Date: 2025-09-30 20:32:14

((3-Methylphenyl)amino)ethanethioic acid S-1H-benzimidazol-2-yl ester structure	Common Name	((3-Methylphenyl)amino)ethanethioic acid S-1H-benzimidazol-2-yl ester
	CAS Number	83408-78-0	Molecular Weight	297.37500
	Density	1.32g/cm3	Boiling Point	557.1ºC at 760 mmHg
	Molecular Formula	C₁₆H₁₅N₃OS	Melting Point	N/A
	MSDS	N/A	Flash Point	290.7ºC

Name	S-(1H-benzimidazol-2-yl) 2-(3-methylanilino)ethanethioate

Density	1.32g/cm3
Boiling Point	557.1ºC at 760 mmHg
Molecular Formula	C₁₆H₁₅N₃OS
Molecular Weight	297.37500
Flash Point	290.7ºC
Exact Mass	297.09400
PSA	83.08000
LogP	3.67510
Index of Refraction	1.698
InChIKey	FPMROOZKVXFRJE-UHFFFAOYSA-N
SMILES	Cc1cccc(NCC(=O)Sc2nc3ccccc3[nH]2)c1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KI9550000

CHEMICAL NAME :: Ethanethioic acid, ((3-methylphenyl)amino)-, S-1H-benzimidazol-2-yl ester

CAS REGISTRY NUMBER :: 83408-78-0

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 :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1 mg/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: 21,379,1982

HS Code	2933990090

3-Toluidine

CAS#:108-44-1

2-(Chloroacetyl...

CAS#:37061-45-3

((3-Methylpheny...

CAS#:83408-78-0

Literature: Tripathi, Shephali; Ahmad, Shakeel; Barthwal, J. P.; Kishor, K.; Tangri, K. K.; Bhargava, K. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982 , vol. 21, # 4 p. 379 - 380

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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((3-Methylphenyl)amino)ethanethioic acid S-1H-benzimidazol-2-yl ester

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