Basic information
- CAS
73021-84-8- Standard SMILES
CS(=O)(=O)N=C1C=CC(=O)C=C1- InChIKey
NDLQEBVURWOHCQ-UHFFFAOYSA-N- Molecular formula
- C7H7NO3S
- Average molar mass
- 185.2 g/mol
- Monoisotopic mass
- 185.01466426
Names & identifiers
- Preferred name
- ST50168920
- IUPAC
- N-(4-oxocyclohexa-2,5-dien-1-ylidene)methanesulfonamide
Names & synonyms
73021-84-8ST50168920DTXSID70408514RefChem:381580DTXCID80359366Methanesulfonamide, N-(4-oxo-2,5-cyclohexadien-1-ylidene)-N-(4-oxocyclohexa-2,5-dien-1-ylidene)methanesulfonamideSCHEMBL2454074NDLQEBVURWOHCQ-UHFFFAOYSA-NAKOS002262035DA-41544N-(4-oxocyclohexa-2,5-dienylidene)methanesulfonamide
Show more names
n-(4-oxo-cyclohexa-2,5-dienylidene)-methanesulfonamide4-[(methylsulfonyl)azamethylene]cyclohexa-2,5-dien-1-oneN-(4-oxocyclohexa-2,5-dien-1-ylidene)methane-sulfonamide
Database identifiers
- CAS
73021-84-8- PubChem CID
- 5118767
- DTXSID
DTXSID70408514
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…