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2-Mercaptosuccinic Acid

CAT: 1299-RG-M051806-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-M051806-01Size:10 mg
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CAS Number
70-49-5
Synonyms
2-mercaptosuccinic acid
Molecular Formula
C4H6O4S
Molecular Weight
150.15
Product Name Synonym
2-mercaptosuccinic acid

Chemical Information

(+-)-Mercaptosuccinic acid

Thiomalic acid is a C4-dicarboxylic acid. It is functionally related to a succinic acid. It is a conjugate acid of a thiomalate(1-).

CAS Number70-49-5
PubChem CID6268
IUPAC Name2-sulfanylbutanedioic acid
Molecular FormulaC4H6O4S
Molecular Weight150.16
XLogP-0.4
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity133
SMILES
C(C(C(=O)O)S)C(=O)O
InChI
InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)
InChIKey
NJRXVEJTAYWCQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-Mercaptosuccinic acid
CAS: 70-49-5
CID: 6268
Formula: C4H6O4S
MW: 150.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.16
XLogP3-0.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass149.99867984
Monoisotopic Mass149.99867984
Topological Polar Surface Area75.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity133
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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