Basic information
- CAS
58098-99-0- Standard SMILES
N#CN=C1N=S(=O)(c2ccccc2)c2ccccc21- InChIKey
YWLZMQZCDUKTOT-UHFFFAOYSA-M- Molecular formula
- C14H9N3OS
- Average molar mass
- 267.31 g/mol
- Monoisotopic mass
- 267.04663309
Names & identifiers
- Preferred name
- 1-Oxido-1-phenyl-3H-1,2-benzisothiazol-3-ylidenecyanamide
- IUPAC
- (1-oxo-1-phenyl-1,2-benzothiazol-3-ylidene)cyanamide
- English name
- 1-Oxido-1-phenyl-3H-1,2-benzisothiazol-3-ylidenecyanamide
- Molecular formula
- C14H9N3OS
- Molecular weight
- 267.31
Names & synonyms
58098-99-01-Oxido-1-phenyl-3H-1,2-benzisothiazol-3-ylidenecyanamideNSC297613NSC 297613NSC-297613DB-291497(Z)-(1-oxo-1-phenyl-1,2-benzothiazol-3-ylidene)cyanamideN-(1-Oxido-1-phenylbenzo[d]isothiazol-3(2H)-ylidene)cyanamideCyanamide, (1-oxido-1-phenyl-3H-1λ4-1,2-benzisothiazol-3-ylidene)- (9CI)
Database identifiers
- CAS
58098-99-0- PubChem CID
- 326396
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 544
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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