Basic information
- CAS
61668-17-5- Standard SMILES
CCCCCCCS(=O)O- InChIKey
CDRKABSNTPECCB-UHFFFAOYSA-N- Molecular formula
- C7H16O2S
- Average molar mass
- 164.27 g/mol
- Monoisotopic mass
- 164.08710092
Names & identifiers
- Preferred name
- Heptane-1-sulfinic acid
- IUPAC
- heptane-1-sulfinic acid
Names & synonyms
HEPTANE-1-SULFINIC ACID61668-17-5DTXSID90494919RefChem:347231DTXCID90445729ThioctansaureSCHEMBL10013068SCHEMBL27947966
Database identifiers
- CAS
61668-17-5- PubChem CID
- 12372618
- DTXSID
DTXSID90494919
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 93.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…