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

Modify Date: 2025-10-20 13:41:30

((2-Methoxyphenyl)amino)ethanethioic acid S-1H-benzimidazol-2-yl ester structure	Common Name	((2-Methoxyphenyl)amino)ethanethioic acid S-1H-benzimidazol-2-yl ester
	CAS Number	83408-81-5	Molecular Weight	313.37400
	Density	1.36g/cm3	Boiling Point	554.6ºC at 760 mmHg
	Molecular Formula	C₁₆H₁₅N₃O₂S	Melting Point	N/A
	MSDS	N/A	Flash Point	289.2ºC

Name	S-(1H-benzimidazol-2-yl) 2-(2-methoxyanilino)ethanethioate

Density	1.36g/cm3
Boiling Point	554.6ºC at 760 mmHg
Molecular Formula	C₁₆H₁₅N₃O₂S
Molecular Weight	313.37400
Flash Point	289.2ºC
Exact Mass	313.08800
PSA	92.31000
LogP	3.37530
Index of Refraction	1.692
InChIKey	JGFCKIAZPDBSRA-UHFFFAOYSA-N
SMILES	COc1ccccc1NCC(=O)Sc1nc2ccccc2[nH]1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KI9450000

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

CAS REGISTRY NUMBER :: 83408-81-5

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C16-H15-N3-O2-S

MOLECULAR WEIGHT :: 313.40

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 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: 21,379,1982

HS Code	2933990090

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CAS#:90-04-0

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CAS#:83408-81-5

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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Product Name: ((2-Methoxyphenyl)amino)ethanethioic acid S-1H-benzimidazol-2-yl ester
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((2-Methoxyphenyl)amino)ethanethioic acid S-1H-benzimidazol-2-yl ester

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