1-Butanol, 4-((3-hydroxypropyl)thio)-
Basic information
- CAS
142039-93-8- Standard SMILES
OCCCCSCCCO- InChIKey
YKRWSOZJQPJEQL-UHFFFAOYSA-N- Molecular formula
- C7H16O2S
- Average molar mass
- 164.27 g/mol
- Monoisotopic mass
- 164.08710092
Names & identifiers
- Preferred name
- 1-Butanol, 4-((3-hydroxypropyl)thio)-
- IUPAC
- 4-(3-hydroxypropylsulfanyl)butan-1-ol
Names & synonyms
1-Butanol, 4-[(3-hydroxypropyl)thio]-142039-93-8DTXSID103383261-Butanol, 4-((3-hydroxypropyl)thio)-RefChem:228809DTXCID20289411YKRWSOZJQPJEQL-UHFFFAOYSA-NSCHEMBL27918176AKOS0154703824-[(3-Hydroxypropyl)sulfanyl]-1-butanol #4-[(3-HYDROXYPROPYL)SULFANYL]BUTAN-1-OL
Database identifiers
- CAS
142039-93-8- PubChem CID
- 548412
- DTXSID
DTXSID10338326
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 59.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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