1H-Thieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-4-one, 2,3-dimethyl-
Basic information
- CAS
159852-66-1- Standard SMILES
Cc1sc2nc3sc4ccccc4n3c(=O)c2c1C- InChIKey
NAYLUEQDYIVUPT-UHFFFAOYSA-N- Molecular formula
- C14H10N2OS2
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.02345529
Names & identifiers
- Preferred name
- 1H-Thieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-4-one, 2,3-dimethyl-
- IUPAC
- 13,14-dimethyl-8,12-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaen-16-one
Names & synonyms
1H-Thieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-4-one, 2,3-dimethyl-2,3-Dimethyl-4H-thieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-4-one159852-66-1DTXSID10166742RefChem:240969DTXCID90892332,3-Dimethyl-4H-thieno[2',3':4,5]pyrimido[2,1-b][1,3]benzothiazol-4-one
Database identifiers
- CAS
159852-66-1- PubChem CID
- 3074592
- DTXSID
DTXSID10166742
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…