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Hypotaurine

CAT: 0127-BUP11281-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP11281-03Size:50 mg
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CAS Number
300-84-5
Synonyms
2-Aminoethanesulfinic acid, 2-Aminoethylsulfinic acid
Purity
=98%
Smiles
NCCS(O)=O

Chemical Information

Hypotaurine

Hypotaurine is an aminosulfinic acid comprising ethylamine having the sulfo group at the 2-position. It has a role as a metabolite, a mouse metabolite and a human metabolite. It is a conjugate acid of a hypotaurine(1-). It is a tautomer of a hypotaurine zwitterion.

CAS Number300-84-5
PubChem CID107812
IUPAC Name2-aminoethanesulfinic acid
Molecular FormulaC2H7NO2S
Molecular Weight109.15
XLogP-1.5
Topological Polar Surface Area82.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity55
SMILES
C(CS(=O)O)N
InChI
InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)
InChIKey
VVIUBCNYACGLLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hypotaurine
CAS: 300-84-5
CID: 107812
Formula: C2H7NO2S
MW: 109.15
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight109.15
XLogP3-1.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass109.01974964
Monoisotopic Mass109.01974964
Topological Polar Surface Area82.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity55.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5751663Hypotaurine
A20590-100Hypotaurine 100mg
A20590-25Hypotaurine 25mg
A20590-10Hypotaurine 10mg
HY-100803R-01Hypotaurine (Standard)
A20590-500Hypotaurine 500mg
A20590-50Hypotaurine 50mg

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