2-Butanol, 1,4-bis(2-naphthalenylthio)-
Basic information
- CAS
632331-78-3- Standard SMILES
OC(CCSc1ccc2ccccc2c1)CSc1ccc2ccccc2c1- InChIKey
CPIJCZQDDWDQOL-UHFFFAOYSA-N- Molecular formula
- C24H22OS2
- Average molar mass
- 390.6 g/mol
- Monoisotopic mass
- 390.11120767
Names & identifiers
- Preferred name
- 2-Butanol, 1,4-bis(2-naphthalenylthio)-
- IUPAC
- 1,4-bis(naphthalen-2-ylsulfanyl)butan-2-ol
Names & synonyms
2-Butanol, 1,4-bis(2-naphthalenylthio)-632331-78-3SCHEMBL5360150DTXSID704680371,4-Bis[(naphthalen-2-yl)sulfanyl]butan-2-ol
Database identifiers
- CAS
632331-78-3- PubChem CID
- 11523973
- DTXSID
DTXSID70468037
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 442
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Compound notes
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