Basic information
- CAS
6974-31-8- Standard SMILES
CC(=O)SCCCCCCCCCCC(=O)O- InChIKey
DHKWYRRJFXRZOA-UHFFFAOYSA-N- Molecular formula
- C13H24O3S
- Average molar mass
- 260.39 g/mol
- Monoisotopic mass
- 260.1446158
Names & identifiers
- Preferred name
- 11-(Acetylsulfanyl)undecanoic acid
- IUPAC
- 11-acetylsulfanylundecanoic acid
Names & synonyms
11-(acetylsulfanyl)undecanoic acid6974-31-8DTXSID70281884RefChem:236143DTXCID00233038NSC2334011-acetylthioundecanoic acidSCHEMBL1647647NSC-2334010.14272/DHKWYRRJFXRZOA-UHFFFAOYSA-Ndoi:10.14272/DHKWYRRJFXRZOA-UHFFFAOYSA-N
Database identifiers
- CAS
6974-31-8- PubChem CID
- 229573
- DTXSID
DTXSID70281884- Nikkaji
- J1.293.290A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…