S-Benzyl-L-Penicillamine

Modify Date: 2025-09-10 18:00:52

S-Benzyl-L-Penicillamine Structure
S-Benzyl-L-Penicillamine structure
Common Name S-Benzyl-L-Penicillamine
CAS Number 56614-75-6 Molecular Weight 237.31800
Density 1.192g/cm3 Boiling Point 420.4ºC at 760 mmHg
Molecular Formula C12H15NO2S Melting Point N/A
MSDS N/A Flash Point 208ºC

 Names

Name 5,5-Dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.192g/cm3
Boiling Point 420.4ºC at 760 mmHg
Molecular Formula C12H15NO2S
Molecular Weight 237.31800
Flash Point 208ºC
Exact Mass 237.08200
PSA 74.63000
LogP 2.58220
Index of Refraction 1.568
InChIKey LZDQTBBSEWXLTA-UHFFFAOYSA-N
SMILES CC1(C)SC(c2ccccc2)NC1C(=O)O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ5425650
CHEMICAL NAME :
4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-phenyl-
CAS REGISTRY NUMBER :
56614-75-6
LAST UPDATED :
199109
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H15-N-O2-S
MOLECULAR WEIGHT :
237.34
WISWESSER LINE NOTATION :
T5M CSTJ BR& D1 D1 EVQ

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 :
1200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 13,149,1978

 Safety Information

HS Code 2934999090

 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

optically inactive 5,5-dimethyl-2-phenyl-thiazolidine-4-carboxylic acid
N,S-benzylidene-penicillamine
4-THIAZOLIDINECARBOXYLIC ACID,5,5-DIMETHYL-2-PHENYL
5,5-dimethyl-2-phenyl-thiazolidine-4-carboxylic acid
Opt.-inakt. 5,5-Dimethyl-2-phenyl-thiazolidin-4-carbonsaeure
5,5-Dimethyl-2-phenyl-4-thiazolidinecarboxylic acid
4-Carboxy-5,5-dimethyl-2-phenylthiazolidine
5,5-dimethyl-2(S)-phenylthiazolidine-4(S)-carboxylic acid
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