S-Benzyl-L-cysteine methyl ester hydrochloride supplier

Name
H-CYS(BZL)-OME HCL
EINECS 240-803-5
CAS No. 16741-80-3
Article Data7
CAS DataBase
Density 1.165 g/cm³
Solubility
Melting Point 160-162 °C(Solv: methanol (67-56-1); ethyl ether (60-29-7))
Formula C₁₁H₁₆ClNO₂S
Boiling Point 339.8 °Cat 760mmHg
Molecular Weight 261.773
Flash Point 159.3 °C
Transport Information
Appearance crystalline
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alanine,3-(benzylthio)-, methyl ester, hydrochloride, L- (8CI);L-Cysteine, S-(phenylmethyl)-,methyl ester, hydrochloride (9CI);L-Cysteine benzyl thioether methyl esterhydrochloride;L-S-Benzylcysteine methyl ester hydrochloride;Methyl3-benzyl-L-cysteinate hydrochloride;NSC 161612;S-Benzyl-L-cysteine methylester hydrochloride;S-Benzylcysteine hydrochloride methyl ester;H-Cys(Bzl)-OMe.HCl;H-Cys(Bzl)-OMe·HCl;
PSA 77.62000
LogP 2.92240

S-Benzyl-L-cysteine methyl ester hydrochloride Specification

The L-Cysteine,S-(phenylmethyl)-, methyl ester, hydrochloride (1:1), with the CAS registry number 16741-80-3, is also known as S-Benzyl-L-cysteine methyl ester hydrochloride and Methyl S-benzyl-L-cysteinate hydrochloride. It belongs to the product categories of Amino Acids; Amino Acids and Derivatives; Amino Acid Derivatives. Its EINECS registry number is 240-803-5. This chemical's molecular formula is C₁₁H₁₆ClNO₂S and molecular weight is 261.77. What's more, both its IUPAC name and systematic name are the same which is called Methyl (2R)-2-amino-3-benzylsulfanyl-propanoate hydrochloride. It is crystalline.

Physical properties about L-Cysteine,S-(phenylmethyl)-, methyl ester, hydrochloride are: (1) ACD/LogP: 2.39; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.55; (4) ACD/LogD (pH 7.4): 2.35; (5) #H bond acceptors: 3; (6) #H bond donors: 2; (7) #Freely Rotating Bonds: 7; (8) Polar Surface Area: 77.62 Å²; (9) Flash Point: 178 °C; (10) Enthalpy of Vaporization: 62.99 kJ/mol; (11) Boiling Point: 370.8 °C at 760 mmHg; (12) Vapour Pressure: 7.4E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.COC(=O)[C@@H](N)CSCc1ccccc1
(2) InChI: InChI=1/C11H15NO2S.ClH/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H/t10-;/m0./s1
(3) InChIKey: QVJDVOZRQMIIHP-PPHPATTJBD

Product Name

H-CYS(BZL)-OME HCL

S-Benzyl-L-cysteine methyl ester hydrochloride Specification

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