2-amino-3-sulfanylpropanoic acid

• ChemBase ID: 149978
• Molecular Formular: C3H7NO2S
• Molecular Mass: 121.15818
• Monoisotopic Mass: 121.01974947
• SMILES: C(C(C(=O)O)N)S
• Canonical SMILES: NC(C(=O)O)CS
• InChI: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
• InChIKey: XUJNEKJLAYXESH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-sulfanylpropanoic acid
• IUPAC Traditional name: cysteine
• Synonyms: Cysteine; DL-Cysteine; (+/-)-Cysteine; NSC 63864; DL-Cysteine; (±)-2-Amino-3-mercaptopropionic acid; DL-Cysteine; 2-Amino-3-mercaptopropanoic acid; (±)-2-氨基-3-巯基丙酸; DL-半胱氨酸

Database IDs

• CAS Number: 3374-22-9
• EC Number: 222-160-2
• MDL Number: MFCD00004881
• Beilstein Number: 1721406
• PubChem SID: 24865621; 24888553; 162244140
• PubChem CID: 594

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: ~225 °C; 225 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; 22-35
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H302; H302-H314-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95% (RT); 95+%
• Grade: purum; technical grade
• Linear Formula: HSCH2CH(NH2)COOH

DETAILS

Sigma Aldrich - 861677

Biochem/physiol Actions
NMDA agonist that is an agonist at quisqualate receptors at high concentration.
Packaging
10, 50 g in poly bottle

Sigma Aldrich - 40912

Biochem/physiol Actions
NMDA agonist that is an agonist at quisqualate receptors at high concentration.

Toronto Research Chemicals - C995015

Cysteine is a non-essential amino acid that can be synthesized by the human body under normal physiological conditions if a sufficient quantity of methionine is available. Cysteine is commonly used as a precursor in the food and pharmaceutical industries.

REFERENCES

• Hui, N. et al.: Meat Sci. Appl., 74 (2001)
• Kiviharju, K. et al.: J. Biotechnol., 117, 299 (2001)
• Pecivova, P. et al.: J. Sci. Food Agric., 90, 1681 (2001)