3,3'-Sulfanediylbis(2,2-dimethylpropanoic acid)
Basic information
- CAS
21153-31-1- Standard SMILES
CC(C)(CSCC(C)(C)C(=O)O)C(=O)O- InChIKey
LPMOTCHEBQYNQI-UHFFFAOYSA-N- Molecular formula
- C10H18O4S
- Average molar mass
- 234.31 g/mol
- Monoisotopic mass
- 234.09258022
Names & identifiers
- Preferred name
- 3,3'-Sulfanediylbis(2,2-dimethylpropanoic acid)
- IUPAC
- 3-(2-carboxy-2-methylpropyl)sulfanyl-2,2-dimethylpropanoic acid
Names & synonyms
21153-31-13-[(2-carboxy-2,2-dimethylethyl)sulfanyl]-2,2-dimethylpropanoic acid3,3'-sulfanediylbis(2,2-dimethylpropanoic acid)NSC147620DTXSID90301957EX-A13461SNSC 147620NSC-147620SY496044EN300-374346112,2'-[Sulfanediylbis(methylene)]bis(2-methylpropanoic acid)3,3 inverted exclamation mark -Thiobis(2,2-dimethylpropanoic Acid)
Database identifiers
- CAS
21153-31-1- PubChem CID
- 287565
- DTXSID
DTXSID90301957
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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