1-(2-Chloroethanesulfinyl)heptane
Basic information
- CAS
24475-73-8- Standard SMILES
CCCCCCCS(=O)CCCl- InChIKey
ZSJLOCPVTWKDQV-UHFFFAOYSA-N- Molecular formula
- C9H19ClOS
- Average molar mass
- 210.77 g/mol
- Monoisotopic mass
- 210.0845141
Names & identifiers
- Preferred name
- 1-(2-Chloroethanesulfinyl)heptane
- IUPAC
- 1-(2-chloroethylsulfinyl)heptane
Names & synonyms
24475-73-8NSC1961881-(2-CHLOROETHANESULFINYL)HEPTANE2chloroethyl heptyl sulfoxideSCHEMBL8967202DTXSID90307893ZSJLOCPVTWKDQV-UHFFFAOYSA-NHeptane,1-[(2-chloroethyl)sulfinyl]-NSC-196188DS-000357
Database identifiers
- CAS
24475-73-8- PubChem CID
- 304375
- DTXSID
DTXSID90307893
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 117
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Related reactions
2 records
Compound notes
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