4'-(N-methylanilino)spiro[1,3-dithiane-2,3'-5,6,7,8-tetrahydro-4H-chromene]-2'-one
Basic information
- CAS
61588-06-5- Standard SMILES
CN(c1ccccc1)C1C2=C(CCCC2)OC(=O)C12SCCCS2- InChIKey
MTEYFWWKSDGJKW-UHFFFAOYSA-N- Molecular formula
- C19H23NO2S2
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.11702132
Names & identifiers
- Preferred name
- 4'-(N-methylanilino)spiro[1,3-dithiane-2,3'-5,6,7,8-tetrahydro-4H-chromene]-2'-one
- IUPAC
- 4'-(N-methylanilino)spiro[1,3-dithiane-2,3'-5,6,7,8-tetrahydro-4H-chromene]-2'-one
Names & synonyms
61588-06-5NSC2895014'-(N-methylanilino)spiro[1,3-dithiane-2,3'-5,6,7,8-tetrahydro-4H-chromene]-2'-oneDTXSID30314869NSC-2895014-[Methyl(phenyl)amino]-5,6,7,8-tetrahydro-2H,4H-spiro[[1]benzopyran-3,2'-[1,3]dithian]-2-one
Database identifiers
- CAS
61588-06-5- PubChem CID
- 324347
- DTXSID
DTXSID30314869
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 521
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Compound notes
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