5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-ethyl-
Basic information
- CAS
110543-82-3- Standard SMILES
CCc1nn2c(=O)c3sc4ccccc4c3nc2s1- InChIKey
YZDAYRRCXUPPQK-UHFFFAOYSA-N- Molecular formula
- C13H9N3OS2
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.01870427
Names & identifiers
- Preferred name
- 5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-ethyl-
- IUPAC
- 13-ethyl-8,14-dithia-11,12,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one
Names & synonyms
5H-(1)Benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-ethyl-2-Ethyl-5H-(1)benzothieno(3,2-d)-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one110543-82-3DTXSID60149287RefChem:305129DTXCID80717782-Ethyl-5H-[1]benzothieno[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Database identifiers
- CAS
110543-82-3- PubChem CID
- 3066554
- DTXSID
DTXSID60149287
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 490
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Compound notes
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