N-(1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidene)-N'-phenylurea
Basic information
- CAS
58099-01-7- Standard SMILES
CS1(=O)=N/C(=N\C(=O)Nc2ccccc2)c2ccccc21- InChIKey
RFKLUZDLXGHEBA-VKAVYKQESA-N- Molecular formula
- C15H13N3O2S
- Average molar mass
- 299.3 g/mol
- Monoisotopic mass
- 299.07284784
Names & identifiers
- Preferred name
- N-(1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidene)-N'-phenylurea
- IUPAC
- (1Z)-1-(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea
Names & synonyms
NSC29761458099-01-7NSC 297614N-(1-Methyl-1-oxido-3H-1,2-benzisothiazol-3-ylidene)-N'-phenylureaNSC-297614(1Z)-1-(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenyl-urea
Database identifiers
- CAS
58099-01-7- PubChem CID
- 6280071
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 557
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Compound notes
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