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300-84-5 molecular structure
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2-aminoethane-1-sulfinic acid

ChemBase ID: 105307
Molecular Formular: C2H7NO2S
Molecular Mass: 109.14748
Monoisotopic Mass: 109.01974947
SMILES and InChIs

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

Cite this record

CBID:105307 http://www.chembase.cn/molecule-105307.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.6837091  H Acceptors
H Donor LogD (pH = 5.5) -2.7011678 
LogD (pH = 7.4) -2.7032921  Log P -2.7011833 
Molar Refractivity 23.1622 cm3 Polarizability 10.075557 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble100 mg/mL expand Show data source
Apperance
white expand Show data source
Storage Condition
Room Temperature (15-30°C), Protect from light expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98% (TLC) expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - H1384 external link
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.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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