2-[Carboxymethylsulfanyl(diphenyl)methyl]sulfanylacetic acid
Basic information
- CAS
15810-22-7- Standard SMILES
O=C(O)CSC(SCC(=O)O)(c1ccccc1)c1ccccc1- InChIKey
ACQKMIBIYKMABI-UHFFFAOYSA-N- Molecular formula
- C17H16O4S2
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.04900133
Names & identifiers
- Preferred name
- 2-[Carboxymethylsulfanyl(diphenyl)methyl]sulfanylacetic acid
- IUPAC
- 2-[carboxymethylsulfanyl(diphenyl)methyl]sulfanylacetic acid
Names & synonyms
15810-22-72-[carboxymethylsulfanyl(diphenyl)methyl]sulfanylacetic acidNSC191788DTXSID80330099NSC-1917882,2'-[(Diphenylmethylene)bis(sulfanediyl)]diacetic acid
Database identifiers
- CAS
15810-22-7- PubChem CID
- 426438
- DTXSID
DTXSID80330099
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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