Basic information
- CAS
6371-19-3- Standard SMILES
COc1ccc2c(c1)S/C(=C1\Sc3cc(Cl)cc(C)c3C1=O)C2=O- InChIKey
RKCISMQZUPCBNF-ZCXUNETKSA-N- Molecular formula
- C18H11ClO3S2
- Average molar mass
- 374.9 g/mol
- Monoisotopic mass
- 373.9838142
Names & identifiers
- Preferred name
- 6-chloro-2-(6-methoxy-3-oxobenzo[b]thien-2(3H)-ylidene)-4-methylbenzo[b]thiophene-3(2H)-one
- IUPAC
- (2Z)-6-chloro-2-(6-methoxy-3-oxo-1-benzothiophen-2-ylidene)-4-methyl-1-benzothiophen-3-one
Names & synonyms
EINECS 228-893-46-Chloro-2-(6-methoxy-3-oxobenzo(b)thien-2(3H)-ylidene)-4-methylbenzo(b)thiophene-3(2H)-one6371-19-36-CHLORO-2-(6-METHOXY-3-OXOBENZO[B]THIEN-2(3H)-YLIDENE)-4-METHYLBENZO[B]THIOPHENE-3(2H)-ONERefChem:307805228-893-4
Database identifiers
- CAS
6371-19-3- PubChem CID
- 3034883
- EC Number
- 228-893-4
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 605
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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