[(Phenylethynyl)sulfanyl]benzene
Basic information
- CAS
35460-31-2- Standard SMILES
C(#Cc1ccccc1)Sc1ccccc1- InChIKey
UUDMEJQLIBKUDR-UHFFFAOYSA-N- Molecular formula
- C14H10S
- Average molar mass
- 210.3 g/mol
- Monoisotopic mass
- 210.05032149
Names & identifiers
- Preferred name
- [(Phenylethynyl)sulfanyl]benzene
- IUPAC
- 2-phenylethynylsulfanylbenzene
Names & synonyms
35460-31-2[(phenylethynyl)sulfanyl]benzeneNSC3654phenylsulphenyl-2-phenylethyneSCHEMBL7552481[(phenylsulfanyl)ethynyl]benzeneDTXSID70277707NSC-3654
Database identifiers
- CAS
35460-31-2- PubChem CID
- 220644
- DTXSID
DTXSID70277707- Nikkaji
- J371.532I
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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