(2R)-2-amino-3-sulfanylpropanoic acid

• ChemBase ID: 139376
• Molecular Formular: C3H7NO2S
• Molecular Mass: 122.1515889
• Monoisotopic Mass: 122.01678436
• SMILES: C([C@@H](C(=O)O)[15NH2])S
• Canonical SMILES: [15NH2][C@H](C(=O)O)CS
• InChI: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/i4+1
• InChIKey: XUJNEKJLAYXESH-GZPBOPPUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3-sulfanylpropanoic acid
• IUPAC Traditional name: L-cysteine
• Synonyms: L-Cysteine-15N

Database IDs

• CAS Number: 204523-09-1
• MDL Number: MFCD00144572
• PubChem SID: 162233624
• PubChem CID: 71310241

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: 220 °C (dec.)(lit.)
• Optical Rotation: [α]20/D +6.5°, c = 2 in 5 M HCl
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95% (CP)
• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 122.14 by atom % calculation
• Linear Formula: HSCH2CH(15NH2)CO2H

DETAILS

Sigma Aldrich - 609129

Packaging
100 mg in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.