2-[2-cyclopentylimino-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

Modify Date: 2025-08-24 08:38:11

2-[2-cyclopentylimino-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid Structure
2-[2-cyclopentylimino-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid structure
Common Name 2-[2-cyclopentylimino-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CAS Number 39964-47-1 Molecular Weight 332.41700
Density 1.37g/cm3 Boiling Point 536.4ºC at 760 mmHg
Molecular Formula C17H20N2O3S Melting Point N/A
MSDS N/A Flash Point 278.2ºC

 Names

Name 2-[2-cyclopentylimino-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.37g/cm3
Boiling Point 536.4ºC at 760 mmHg
Molecular Formula C17H20N2O3S
Molecular Weight 332.41700
Flash Point 278.2ºC
Exact Mass 332.11900
PSA 95.27000
LogP 3.28170
Index of Refraction 1.671
InChIKey MCPLZFZBJMNRKU-UHFFFAOYSA-N
SMILES Cc1ccc(N2C(=O)C(CC(=O)O)SC2=NC2CCCC2)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ5131589
CHEMICAL NAME :
5-Thiazolidineacetic acid, 2-(cyclopentylimino)-4-oxo-3-(p-tolyl)-
CAS REGISTRY NUMBER :
39964-47-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H20-N2-O3-S
MOLECULAR WEIGHT :
332.45
WISWESSER LINE NOTATION :
T5SYNV EHJ CR D1& E1VQ BUN- AL5TJ

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 :
150 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay) Behavioral - ataxia
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 16,178,1973

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

2-(Cyclopentylimino)-4-oxo-3-(p-tolyl)-5-thiazolidineacetic acid
[(2z)-2-(cyclopentylimino)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
(2-cyclopentylimino-4-oxo-3-p-tolyl-thiazolidin-5-yl)-acetic acid
5-Thiazolidineacetic acid,2-(cyclopentylimino)-4-oxo-3-(p-tolyl)
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