Basic information
- CAS
63743-53-3- Standard SMILES
CN(C)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3- InChIKey
BTLRVVZPNOTLFJ-UHFFFAOYSA-N- Molecular formula
- C13H17N3OS
- Average molar mass
- 263.36 g/mol
- Monoisotopic mass
- 263.10923335
Names & identifiers
- Preferred name
- 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- IUPAC
- 2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Names & synonyms
NSC30551263743-53-3DTXSID50316668AKOS000281377NSC-3055122-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Database identifiers
- CAS
63743-53-3- PubChem CID
- 328076
- DTXSID
DTXSID50316668
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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