Thiophene, 2-phenyl-5-(1-propynyl)-
Basic information
- CAS
1204-82-6- Standard SMILES
CC#Cc1ccc(-c2ccccc2)s1- InChIKey
IIXLKPCNWKUVMO-UHFFFAOYSA-N- Molecular formula
- C13H10S
- Average molar mass
- 198.29 g/mol
- Monoisotopic mass
- 198.05032149
Names & identifiers
- Preferred name
- Thiophene, 2-phenyl-5-(1-propynyl)-
- IUPAC
- 2-phenyl-5-prop-1-ynylthiophene
Names & synonyms
Thiophene, 2-phenyl-5-(1-propynyl)-1204-82-62-phenyl-5-(prop-1-yn-1-yl)thiopheneThiophenacetylene2-Phenyl-5-(1-propynyl)thiophenefrom Blainvillea acmellaCHEMBL486188SCHEMBL16680160DTXSID409233852-phenyl-5-prop-1-ynyl-thiophene2-Phenyl-5-(1'-propynyl)thiopheneNSC607169
Show more names
NSC-607169NCI60_004692
Database identifiers
- CAS
1204-82-6- PubChem CID
- 164797
- DTXSID
DTXSID40923385- ChEMBL
CHEMBL486188- Nikkaji
- J2.180.224G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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