2-aminoethane-1-sulfinic acid

• ChemBase ID: 105307
• Molecular Formular: C2H7NO2S
• Molecular Mass: 109.14748
• Monoisotopic Mass: 109.01974947
• SMILES: NCCS(=O)O
• Canonical SMILES: NCCS(=O)O
• InChI: InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)
• InChIKey: VVIUBCNYACGLLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminoethane-1-sulfinic acid
• IUPAC Traditional name: hypotaurine
• Synonyms: Hypotaurine; 2-Aminoethylsulfinic acid; HYPOTAURINE; 2-氨基乙烷亚磺酸; 亚牛磺酸

Database IDs

• CAS Number: 300-84-5
• MDL Number: MFCD00038197
• PubChem SID: 24278460; 162092600
• PubChem CID: 107812
• CHEBI ID: 57853
• Chemspider ID: 96959
• KEGG ID: C00519
• Unique Ingredient Identifier: 5L08GE4332
• Wikipedia Title: Hypotaurine

CALCULATED PROPERTIES

• Acid pKa: 1.6837091
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7011678
• LogD (pH = 7.4): -2.7032921
• Log P: -2.7011833
• Molar Refractivity: 23.1622 cm^3
• Polarizability: 10.075557 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble100 mg/mL
• Apperance: white

Safety Information

• Storage Condition: Room Temperature (15-30°C), Protect from light
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98% (TLC)

DETAILS

MP Biomedicals - 02159711

Crystalline

Sigma Aldrich - H1384

Biochem/physiol Actions
键合羟自由基的抗氧化剂。内源抑制性神经调质，受番木鳖碱和印防己毒阻碍。抑制 GABA 和 β-丙氨酸的 Na2+ 依赖性运输。是半胱氨酸的降解产物，也是牛磺酸的前体。
包装
1 g in poly bottle
100, 250 mg in poly bottle
10 mg in autosmp vl
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. H1384.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.