4-Nonylbenzenethiol
Basic information
- CAS
4527-49-5- Standard SMILES
CCCCCCCCCc1ccc(S)cc1- InChIKey
FZXZNIDUTACSLM-UHFFFAOYSA-N- Molecular formula
- C15H24S
- Average molar mass
- 236.4 g/mol
- Monoisotopic mass
- 236.15987194
Names & identifiers
- Preferred name
- 4-Nonylbenzenethiol
- IUPAC
- 4-nonylbenzenethiol
- English name
- 4-nonylbenzenethiol
- Molecular formula
- C15H24S
- Molecular weight
- 0
Names & synonyms
4-nonylbenzenethiol4527-49-5NSC472094-Nonylbenzene-1-thiolSCHEMBL1067621DTXSID00286746NSC-47209
Database identifiers
- CAS
4527-49-5- PubChem CID
- 240707
- DTXSID
DTXSID00286746
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 148
Chemistry & industry
Applications
Uses4-Nonylbenzenethiol can be used as a reactant for the synthesis of IR-absorbing phthalocyanine compounds.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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