Basic information
- CAS
14106-16-2- Standard SMILES
Cc1ccc(S(=O)(=O)ON=C2CCSc3ccccc32)cc1- InChIKey
WICWZTPSMWAXJA-UHFFFAOYSA-N- Molecular formula
- C16H15NO3S2
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.04933569
Names & identifiers
- Preferred name
- (2,3-Dihydrothiochromen-4-ylideneamino) 4-methylbenzenesulfonate
- IUPAC
- (2,3-dihydrothiochromen-4-ylideneamino) 4-methylbenzenesulfonate
Names & synonyms
14106-16-2DTXSID90930983N-[(4-Methylbenzene-1-sulfonyl)oxy]-2,3-dihydro-4H-1-benzothiopyran-4-imine
Database identifiers
- CAS
14106-16-2- PubChem CID
- 289142
- DTXSID
DTXSID90930983
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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