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3,3-Dithiodipropionic acid

CAT: 0063-70998749-01Size: 25 gDry Ice: NoHazardous: No
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CAS Number
1119-62-6

Chemical Information

3,3'-Dithiodipropionic acid

3,3'-dithiodipropionic acid has been reported in Albizia julibrissin with data available.

CAS Number1119-62-6
PubChem CID95116
IUPAC Name3-(2-carboxyethyldisulfanyl)propanoic acid
Molecular FormulaC6H10O4S2
Molecular Weight210.3
XLogP-0.1
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity142
SMILES
C(CSSCCC(=O)O)C(=O)O
InChI
InChI=1S/C6H10O4S2/c7-5(8)1-3-11-12-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKey
YCLSOMLVSHPPFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3'-Dithiodipropionic acid
CAS: 1119-62-6
CID: 95116
Formula: C6H10O4S2
MW: 210.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight210.3
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass210.00205114
Monoisotopic Mass210.00205114
Topological Polar Surface Area125 Ų
Heavy Atom Count12
Formal Charge0
Complexity142
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