2-amino-3-sulfanylpropanoic acid hydrochloride

• ChemBase ID: 70582
• Molecular Formular: C3H8ClNO2S
• Molecular Mass: 157.61912
• Monoisotopic Mass: 156.99642718
• SMILES: C(=O)(C(CS)N)O.Cl
• Canonical SMILES: NC(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
• InChIKey: IFQSXNOEEPCSLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-sulfanylpropanoic acid hydrochloride
• IUPAC Traditional name: cysteine hydrochloride
• Synonyms: DL-2-Amino-3-mercaptopropionic acid hydrochloride; H-DL-Cys-OH.HCl; 2-Amino-3-mercaptopropanoic acid hydrochloride; DL-Cysteine hydrochloride; DL-CYSTEINE HCl; DL-半胱氨酸盐酸盐; DL-半胱氨酸 盐酸盐

Database IDs

• CAS Number: 10318-18-0
• EC Number: 233-698-2
• MDL Number: MFCD00064552
• Beilstein Number: 4150473
• PubChem SID: 24858193; 24893195; 162036297
• PubChem CID: 25150

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: 140-142°C

Safety Information

• Storage Warning: Air Sensitive & Hygroscopic; IRRITANT
• RTECS: HA2200000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95% (TLC); ≥97.0% (RT); 95+%; 98+%
• Grade: anhydrous; purum
• Linear Formula: HSCH2CH(NH2)COOH · HCl

DETAILS

MP Biomedicals - 05215647

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C9768

Biochem/physiol Actions
NMDA glutamatergic receptor agonist that is also an agonist at AMPA glutamatergic receptors at high concentration.

Sigma Aldrich - 30150

Biochem/physiol Actions
NMDA glutamatergic receptor agonist that is also an agonist at AMPA glutamatergic receptors at high concentration.