D-Cysteine,methyl ester, hydrochloride (1:1) supplier

Name
METHYL 2-AMINO-3-MERCAPTOPROPANOATE HYDROCHLORIDE
EINECS 200-528-9
CAS No. 70361-61-4
Article Data12
CAS DataBase
Density
Solubility almost transparency
Melting Point 143oC
Formula C₄H₁₀ClNO₂S
Boiling Point 197.2 °C at 760 mmHg
Molecular Weight 171.648
Flash Point 73.1 °C
Transport Information
Appearance
Safety 26-28-36
Risk Codes 36/38
Molecular Structure
Hazard Symbols Xi
Synonyms D-Cysteine,methyl ester, hydrochloride (9CI);(S)-Cysteine methyl ester hydrochloride;Methyl D-cysteinate hydrochloride;Methyl D-cysteinate hydrochloride (1:1);
PSA 91.12000
LogP 0.91880

D-Cysteine,methyl ester, hydrochloride (1:1) Specification

The D-Cysteine,methyl ester, hydrochloride (1:1), with the CAS registry number 70361-61-4, is also known as Methyl D-cysteinate hydrochloride (1:1). This chemical's molecular formula is C₄H₁₀ClNO₂S and molecular weight is 171.65. What's more, its systematic name is (2S)-1-methoxy-1-oxo-3-sulfanylpropan-2-aminium chloride.

Physical properties of D-Cysteine,methyl ester, hydrochloride (1:1) are: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.48; (4)ACD/LogD (pH 7.4): 0.36; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.09; (7)ACD/KOC (pH 5.5): 5.1; (8)ACD/KOC (pH 7.4): 35.95; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 51.6 Å²; (13)Flash Point: 73.1 °C; (14)Enthalpy of Vaporization: 43.34 kJ/mol; (15)Boiling Point: 197.2 °C at 760 mmHg; (16)Vapour Pressure: 0.384 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C(OC)[C@H]([NH3+])CS
(2)InChI: InChI=1S/C4H9NO2S.ClH/c1-7-4(6)3(5)2-8;/h3,8H,2,5H2,1H3;1H/t3-;/m1./s1
(3)InChIKey: WHOHXJZQBJXAKL-AENDTGMFSA-N

Product Name

METHYL 2-AMINO-3-MERCAPTOPROPANOATE HYDROCHLORIDE

D-Cysteine,methyl ester, hydrochloride (1:1) Specification

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