Basic information
- CAS
67046-37-1- Standard SMILES
CN(c1ccccc1)c1c2c(oc(=O)c1Cl)-c1ccccc1SC2- InChIKey
KGAUKJSZFJVOJT-UHFFFAOYSA-N- Molecular formula
- C19H14ClNO2S
- Average molar mass
- 355.8 g/mol
- Monoisotopic mass
- 355.0433776
Names & identifiers
- Preferred name
- 3-chloro-4-(N-methylanilino)-5H-thiochromeno[4,3-b]pyran-2-one
- IUPAC
- 3-chloro-4-(N-methylanilino)-5H-thiochromeno[4,3-b]pyran-2-one
Names & synonyms
NSC30535367046-37-13-chloro-4-(N-methylanilino)-5H-thiochromeno[4,3-b]pyran-2-oneDTXSID80316636NSC-3053533-Chloro-4-[methyl(phenyl)amino]-2H,5H-thiochromeno[4,3-b]pyran-2-one3-Chloro-4-[methyl(phenyl)amino]-2H,5H-[1]benzothiopyrano[4,3-b]pyran-2-one
Database identifiers
- CAS
67046-37-1- PubChem CID
- 328030
- DTXSID
DTXSID80316636
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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