1-Butanol, 4-(ethylthio)-
Basic information
- CAS
18721-62-5- Standard SMILES
CCSCCCCO- InChIKey
XEIZVCOAFMXFCO-UHFFFAOYSA-N- Molecular formula
- C6H14OS
- Average molar mass
- 134.24 g/mol
- Monoisotopic mass
- 134.07653624
Names & identifiers
- Preferred name
- 1-Butanol, 4-(ethylthio)-
- IUPAC
- 4-ethylsulfanylbutan-1-ol
Names & synonyms
1-butanol, 4-(ethylthio)-4-(ethylsulfanyl)butan-1-ol18721-62-5NSC 1390034-ethylsulfanylbutan-1-olNSC1390034-ethylthiobutan-1-olSCHEMBL4506978SCHEMBL4506984DTXSID50300789XEIZVCOAFMXFCO-UHFFFAOYSA-NSTK695233
Show more names
AKOS005606427NSC-139003DS-005337ST4147554EN300-1852469
Database identifiers
- CAS
18721-62-5- PubChem CID
- 283797
- DTXSID
DTXSID50300789
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 39.5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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