Basic information
- CAS
180691-69-4- Standard SMILES
C=C(CS(=O)(=O)c1ccccc1)c1cccs1- InChIKey
SKMCGTQVXMJJPQ-UHFFFAOYSA-N- Molecular formula
- C13H12O2S2
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 264.02787197
Names & identifiers
- Preferred name
- 2-[1-[(Phenylsulfonyl)methyl]ethenyl]thiophene
- IUPAC
- 2-[3-(benzenesulfonyl)prop-1-en-2-yl]thiophene
Names & synonyms
2-[1-[(Phenylsulfonyl)methyl]ethenyl]thiophene180691-69-42-(1-((Phenylsulfonyl)methyl)ethenyl)thiopheneRefChem:2496712-[3-(benzenesulfonyl)prop-1-en-2-yl]thiopheneDTXSID801249598
Database identifiers
- CAS
180691-69-4- PubChem CID
- 10967390
- DTXSID
DTXSID801249598
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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