5(4H)-Oxazolone, 2-methyl-4-(3-thienylmethylene)-, (Z)-
Basic information
- CAS
89000-97-5- Standard SMILES
CC1=NC(=Cc2ccsc2)C(=O)O1- InChIKey
AKRFVTFRRIGKNO-UHFFFAOYSA-N- Molecular formula
- C9H7NO2S
- Average molar mass
- 193.22 g/mol
- Monoisotopic mass
- 193.01974964
Names & identifiers
- Preferred name
- 5(4H)-Oxazolone, 2-methyl-4-(3-thienylmethylene)-, (Z)-
- IUPAC
- 2-methyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one
Names & synonyms
89000-97-55(4H)-Oxazolone, 2-methyl-4-(3-thienylmethylene)-, (Z)-SCHEMBL6670973DTXSID403567702-Methyl-4-[(thiophen-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
89000-97-5- PubChem CID
- 832356
- DTXSID
DTXSID40356770
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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