(2S)-2-amino-3-sulfanylpropanoic acid hydrochloride

• ChemBase ID: 102385
• Molecular Formular: C3H8ClNO2S
• Molecular Mass: 157.61912
• Monoisotopic Mass: 156.99642718
• SMILES: Cl.N[C@H](CS)C(=O)O
• Canonical SMILES: N[C@@H](C(=O)O)CS.Cl
• InChI: InChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H/t2-;/m1./s1
• InChIKey: IFQSXNOEEPCSLW-HSHFZTNMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-3-sulfanylpropanoic acid hydrochloride
• IUPAC Traditional name: D-cysteine hydrochloride; L cysteine hydrochloride
• Synonyms: D-2-Amino-3-Mercaptopropionic Acid Hydrochloride; D-CYSTEINE HYDROCHLORIDE; D-CYSTEINE HCl

Database IDs

• CAS Number: 32443-99-5
• EC Number: 251-043-9
• MDL Number: MFCD00012632
• PubChem SID: 162088094
• PubChem CID: 147419

CALCULATED PROPERTIES

• Acid pKa: 2.3459952
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.7920592
• LogD (pH = 7.4): -2.8006835
• Log P: -2.7921333
• Molar Refractivity: 28.2236 cm^3
• Polarizability: 11.415023 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 175-180°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 02101438

Hydrochloride
Crystalline

MP Biomedicals - 05201703

MP Biomedicals Rare Chemical collection