(2R)-2-amino-3-(tert-butylsulfanyl)propanoic acid hydrochloride

• ChemBase ID: 104156
• Molecular Formular: C7H16ClNO2S
• Molecular Mass: 213.72544
• Monoisotopic Mass: 213.05902744
• SMILES: Cl.CC(C)(C)SC[C@H](N)C(=O)O
• Canonical SMILES: N[C@H](C(=O)O)CSC(C)(C)C.Cl
• InChI: InChI=1S/C7H15NO2S.ClH/c1-7(2,3)11-4-5(8)6(9)10;/h5H,4,8H2,1-3H3,(H,9,10);1H/t5-;/m0./s1
• InChIKey: MHBMYFJKEBCMDR-JEDNCBNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3-(tert-butylsulfanyl)propanoic acid hydrochloride
• IUPAC Traditional name: (2R)-2-amino-3-(tert-butylsulfanyl)propanoic acid hydrochloride
• Synonyms: S-tert-Butyl-L-cysteine hydrochloride; H-Cys(tBu)-OH.HCl; S-tert-Butyl-L-cysteine hydrochloride; S-t-BUTYL-L-CYSTEINE

Database IDs

• CAS Number: 2481-09-6
• MDL Number: MFCD00037426
• PubChem SID: 162092436
• PubChem CID: 17750295

CALCULATED PROPERTIES

• Acid pKa: 2.6759126
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6613312
• LogD (pH = 7.4): -1.6681944
• Log P: -1.6611673
• Molar Refractivity: 46.8278 cm^3
• Polarizability: 18.738203 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02154909

Hydrochloride