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Mercaptosuccinic acid

CAT: 0862-GK8337-500gSize: 500 gDry Ice: NoHazardous: No
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CAT#:0862-GK8337-500gSize:500 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
70-49-5
EC Number
200-736-4
MDL Number
MFCD00004860
HS Code
29309099
Purity
97.00%
Molecular Formula
C4H6O4S
Molecular Weight
150.15
Storage Conditions
+20°C
Hazardous Class
Not hazardous

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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