CID 5937364
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Basic information
- CAS
1164546-11-5- Standard SMILES
O=C1S/C(=C\Nc2ccccc2)c2ccccc21- InChIKey
NAOMXUCWNFNABK-UVTDQMKNSA-N- Molecular formula
- C15H11NOS
- Average molar mass
- 253.32 g/mol
- Monoisotopic mass
- 253.05613515
Names & identifiers
- Preferred name
- CID 5937364
- IUPAC
- (3Z)-3-(anilinomethylidene)-2-benzothiophen-1-one
- English name
- 3-(ANILINOMETHYLENE)-2-BENZOTHIOPHEN-1(3H)-ONE
- Molecular formula
- C15H11NOS
- Molecular weight
- 253.32
Names & synonyms
3-(ANILINOMETHYLENE)-2-BENZOTHIOPHEN-1(3H)-ONE3-[1-PHENYLAMINO-METH-(Z)-YLIDENE]-3H-BENZO[C]THIOPHEN-1-ONEBenzo[c]thiophen-1(3H)-one, 3-[(phenylamino)methylene]-, (3Z)-(3Z)-3-[(phenylamino)methylidene]-1,3-dihydro-2-benzothiophen-1-one
Database identifiers
- CAS
1164546-11-5- PubChem CID
- 5937364
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 414.7 · 414.7±45.0 °C(Predicted)
- Density
- 1.414 · 1.414±0.06 g/cm3(Predicted)
- pka
- -0.55 · -0.55±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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