3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxye thyl ester

Modify Date: 2025-09-20 18:13:23

3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxye thyl ester Structure
3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxye thyl ester structure
Common Name 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxye thyl ester
CAS Number 78033-83-7 Molecular Weight 319.37500
Density 1.318g/cm3 Boiling Point 426.6ºC at 760 mmHg
Molecular Formula C16H17NO4S Melting Point N/A
MSDS N/A Flash Point 211.8ºC

 Names

Name 2-hydroxyethyl 2-benzamido-4,5-dimethylthiophene-3-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.318g/cm3
Boiling Point 426.6ºC at 760 mmHg
Molecular Formula C16H17NO4S
Molecular Weight 319.37500
Flash Point 211.8ºC
Exact Mass 319.08800
PSA 107.36000
LogP 3.15030
Index of Refraction 1.635
InChIKey PQKUEAOBILJTDC-UHFFFAOYSA-N
SMILES Cc1sc(NC(=O)c2ccccc2)c(C(=O)OCCO)c1C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XM8365000
CHEMICAL NAME :
3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester
CAS REGISTRY NUMBER :
78033-83-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H17-N-O4-S
MOLECULAR WEIGHT :
319.40

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 14,861,1980

 Safety Information

HS Code 2934999090

 Synthetic Route

~80%

3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxye thyl ester Structure

3-Thiophenecarb...

CAS#:78033-83-7

Literature: Kharizomenova, I. A.; Grinev, A. N.; Samsonova, N. V.; Kaplina, N. V.; Kapustina, M. V.; et al. Pharmaceutical Chemistry Journal, 1980 , vol. 14, # 12 p. 861 - 863 Khimiko-Farmatsevticheskii Zhurnal, 1980 , vol. 14, # 12 p. 42 - 45

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2-Hydroxyethyl 2-(benzoylamino)-4,5-dimethyl-3-thiophenecarboxylate
3-Thiophenecarboxylic acid,2-(benzoylamino)-4,5-dimethyl-,2-hydroxyethyl ester
2-hydroxyethyl 2-(benzoylamino)-4,5-dimethylthiophene-3-carboxylate
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