Basic information
- CAS
79695-59-3- Standard SMILES
O=C(O)CSCCCCCCSCC(=O)O- InChIKey
LIFZTWVUEMTOGA-UHFFFAOYSA-N- Molecular formula
- C10H18O4S2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.0646514
Names & identifiers
- Preferred name
- 2,2'-(Hexane-1,6-diyldisulfanediyl)diacetic acid
- IUPAC
- 2-[6-(carboxymethylsulfanyl)hexylsulfanyl]acetic acid
Names & synonyms
79695-59-3NSC3196742,2'-(Hexane-1,6-diyldisulfanediyl)diacetic acidSCHEMBL6231607DTXSID10317656NSC-3196742,2'-[Hexane-1,6-diylbis(sulfanediyl)]diacetic acid
Database identifiers
- CAS
79695-59-3- PubChem CID
- 330593
- DTXSID
DTXSID10317656
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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