Sulfide, bis(2-hydroxybutyl)
Basic information
- Standard SMILES
CCC(O)CSCC(O)CC- InChIKey
VKVGWFUYIKJFSB-UHFFFAOYSA-N- Molecular formula
- C8H18O2S
- Average molar mass
- 178.29 g/mol
- Monoisotopic mass
- 178.10275099
Names & identifiers
- Preferred name
- Sulfide, bis(2-hydroxybutyl)
- IUPAC
- 1-(2-hydroxybutylsulfanyl)butan-2-ol
Names & synonyms
Sulfide, bis(2-hydroxybutyl)ethyl 2-hydroxyethylsulfideethyl-2-hydroxyethyl sulphideSCHEMBL2048131AKOS024437501
Database identifiers
- PubChem CID
- 548436
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 78.2
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Related reactions
1 records
Compound notes
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