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5-Hydroxy-3-Mercaptopentan-2-One

CAT: 1299-RG-H250427-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-H250427-01Size:10 mg
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CAS Number
15678-01-0
Synonyms
5-hydroxy-3-mercaptopentan-2-one
Molecular Formula
C5H10O2S
Molecular Weight
134.2
Product Name Synonym
5-hydroxy-3-mercaptopentan-2-one

Chemical Information

5-Hydroxy-3-mercapto-2-pentanone

structure in first source

CAS Number15678-01-0
PubChem CID15047570
IUPAC Name5-hydroxy-3-sulfanylpentan-2-one
Molecular FormulaC5H10O2S
Molecular Weight134.20
XLogP0
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity82
SMILES
CC(=O)C(CCO)S
InChI
InChI=1S/C5H10O2S/c1-4(7)5(8)2-3-6/h5-6,8H,2-3H2,1H3
InChIKey
BEIYSLIPXPVYNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxy-3-mercapto-2-pentanone
CAS: 15678-01-0
CID: 15047570
Formula: C5H10O2S
MW: 134.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.20
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass134.04015073
Monoisotopic Mass134.04015073
Topological Polar Surface Area38.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity82.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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