2-(dichloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
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Basic information
- CAS
724746-63-8- Standard SMILES
Cc1sc2nc(C(Cl)Cl)[nH]c(=O)c2c1C- InChIKey
XKTAGOPPRWBXMD-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2N2OS
- Average molar mass
- 263.14 g/mol
- Monoisotopic mass
- 261.9734394
Names & identifiers
- Preferred name
- 2-(dichloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
- IUPAC
- 2-(dichloromethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
- English name
- 2-(dichloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C9H8Cl2N2OS
- Molecular weight
- 263.14362
Names & synonyms
2-(dichloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one2-(dichloromethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-oneSBB078112AKOS001060313AR-434/42808122SR-01000049301SR-01000049301-1Z551647432-(dichloromethyl)-5,6-dimethyl-3-hydrothiopheno[2,3-d]pyrimidin-4-one
Database identifiers
- CAS
724746-63-8- PubChem CID
- 852981
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 321
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