Basic information
- CAS
2786-70-1- Standard SMILES
CN1C(=C2Sc3ccccc3N2C)Sc2ccccc21- InChIKey
JEEADTZIVQECKP-UHFFFAOYSA-N- Molecular formula
- C16H14N2S2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.0598408
Names & identifiers
- Preferred name
- 2,3-Dihydro-3-methyl-2-(3-methyl-2(3H)-benzothiazolylidene)benzothiazole
- IUPAC
- 3-methyl-2-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole
Names & synonyms
JEEADTZIVQECKP-UHFFFAOYSA-NDTXSID501150118NS000486692,3-Dihydro-3-methyl-2-(3-methyl-2(3H)-benzothiazolylidene)benzothiazole3-Methyl-2-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2,3-dihydro-1,3-benzothiazole
Database identifiers
- CAS
2786-70-1- PubChem CID
- 76032
- DTXSID
DTXSID501150118
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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