2-(dichloromethyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
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Basic information
- CAS
724745-65-7- Standard SMILES
O=c1[nH]c(C(Cl)Cl)nc2sc3c(c12)CCC3- InChIKey
NBNAJVHXPJVTLQ-UHFFFAOYSA-N- Molecular formula
- C10H8Cl2N2OS
- Average molar mass
- 275.15 g/mol
- Monoisotopic mass
- 273.9734394
Names & identifiers
- Preferred name
- 2-(dichloromethyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
- IUPAC
- 10-(dichloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
- English name
- 2-(dichloromethyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
- Molecular formula
- C10H8Cl2N2OS
- Molecular weight
- 275.15432
Names & synonyms
724745-65-72-(dichloromethyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one2-(Dichloromethyl)-1,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-oneDTXSID001128788AR-434/42807873Z5516474510-(dichloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Database identifiers
- CAS
724745-65-7- PubChem CID
- 852947
- DTXSID
DTXSID001128788
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
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Compound notes
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