ST50980139
Basic information
- CAS
32386-31-5- Standard SMILES
O=C(O)CSCCCCCSCC(=O)O- InChIKey
CYHDWXPTWDSXTP-UHFFFAOYSA-N- Molecular formula
- C9H16O4S2
- Average molar mass
- 252.4 g/mol
- Monoisotopic mass
- 252.04900133
Names & identifiers
- Preferred name
- ST50980139
- IUPAC
- 2-[5-(carboxymethylsulfanyl)pentylsulfanyl]acetic acid
Names & synonyms
32386-31-5ST50980139DTXSID50317655RefChem:381722DTXCID902687782-[5-(carboxymethylsulfanyl)pentylsulfanyl]acetic acid2-[5-(carboxymethylthio)pentylthio]acetic acidNSC319673SCHEMBL2807324(pentamethylenedithio)diacetic acidAKOS024353840NSC-319673
Show more names
ST1099962,2'-[Pentane-1,5-diylbis(sulfanediyl)]diacetic acid({5-[(CARBOXYMETHYL)SULFANYL]PENTYL}SULFANYL)ACETIC ACID
Database identifiers
- CAS
32386-31-5- PubChem CID
- 330592
- DTXSID
DTXSID50317655
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…