11H-Thieno(3'2':4,5)pyrimido(2,1-b)benzothiazol-11-one
Basic information
- CAS
159852-73-0- Standard SMILES
O=c1c2sccc2nc2sc3ccccc3n12- InChIKey
IQOVESQGPDBVAQ-UHFFFAOYSA-N- Molecular formula
- C12H6N2OS2
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 257.99215517
Names & identifiers
- Preferred name
- 11H-Thieno(3'2':4,5)pyrimido(2,1-b)benzothiazol-11-one
- IUPAC
- 8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one
Names & synonyms
11H-Thieno(3'2':4,5)pyrimido(2,1-b)benzothiazol-11-one159852-73-0DTXSID30166749RefChem:236347DTXCID8089240SCHEMBL2451369911H-Thieno[3',2':4,5]pyrimido[2,1-b][1,3]benzothiazol-11-one
Database identifiers
- CAS
159852-73-0- PubChem CID
- 3074599
- DTXSID
DTXSID30166749
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 398
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Related reactions
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Compound notes
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