Basic information
- CAS
21083-36-3- Standard SMILES
O=C1Sc2ccccc21- InChIKey
CAEMCYVDPUUSQT-UHFFFAOYSA-N- Molecular formula
- C7H4OS
- Average molar mass
- 136.17 g/mol
- Monoisotopic mass
- 135.99828592
Names & identifiers
- Preferred name
- 7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one
- IUPAC
- 7-thiabicyclo[4.2.0]octa-1,3,5-trien-8-one
- English name
- 8-thiabicyclo[4.2.0]octa-1,3,5-trien-7-one
- Molecular formula
- C7H4OS
- Molecular weight
- 136.17
Names & synonyms
21083-36-37-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one7-Thiabicyclo(4.2.0)octa-1,3,5-trien-8-one8-THIABICYCLO[4.2.0]OCTA-1,3,5-TRIEN-7-ONEbenzothiet-2-oneDTXSID701753107-Thia-bicyclo[4.2.0]octa-1,3,5-trien-8-oneInChI=1/C7H4OS/c8-7-5-3-1-2-4-6(5)9-7/h1-4
Database identifiers
- CAS
21083-36-3- PubChem CID
- 140802
- DTXSID
DTXSID70175310- Nikkaji
- J814.417F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 144
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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