Basic information
- CAS
19617-03-9- Standard SMILES
O=N/N=c1/sc2ccccc2n1-c1ccccc1- InChIKey
LDIHTCZJZIOXKY-BUHFOSPRSA-N- Molecular formula
- C13H9N3OS
- Average molar mass
- 255.3 g/mol
- Monoisotopic mass
- 255.04663309
Names & identifiers
- Preferred name
- (NE)-N-(3-phenyl-1,3-benzothiazol-2-ylidene)nitrous amide
- IUPAC
- (NE)-N-(3-phenyl-1,3-benzothiazol-2-ylidene)nitrous amide
Names & synonyms
NSC15089519617-03-9DTXSID70422114NSC-150895N-[(2E)-3-Phenyl-1,3-benzothiazol-2(3H)-ylidene]nitrous amide
Database identifiers
- CAS
19617-03-9- PubChem CID
- 6152011
- DTXSID
DTXSID70422114- Nikkaji
- J630.180K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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