Basic information
- CAS
54903-14-9- Standard SMILES
O=C(c1ccc2[nH]c(=O)oc2c1)c1cccs1- InChIKey
KJWQYEHVOQJWCT-UHFFFAOYSA-N- Molecular formula
- C12H7NO3S
- Average molar mass
- 245.26 g/mol
- Monoisotopic mass
- 245.01466426
Names & identifiers
- Preferred name
- 2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)-
- IUPAC
- 6-(thiophene-2-carbonyl)-3H-1,3-benzoxazol-2-one
Names & synonyms
JPB 102(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)-54903-14-96-(2-Thienoyl)-2-benzoxazolinoneBRN 05304956-(2-Thienylcarbonyl)-2(3H)-benzoxazoloneDTXSID10203404RefChem:241556DTXCID70125895AKOS0058298956-(Thiophene-2-carbonyl)-1,3-benzoxazol-2(3H)-one
Database identifiers
- CAS
54903-14-9- PubChem CID
- 41226
- DTXSID
DTXSID10203404- Nikkaji
- J67.940B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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