Basic information
- CAS
63743-51-1- Standard SMILES
CCNCc1nc2sc3c(c2c(=O)[nH]1)CCCC3- InChIKey
GIXWJZGUDCGGSS-UHFFFAOYSA-N- Molecular formula
- C13H17N3OS
- Average molar mass
- 263.36 g/mol
- Monoisotopic mass
- 263.10923335
Names & identifiers
- Preferred name
- 2-(ethylaminomethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- IUPAC
- 2-(ethylaminomethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Names & synonyms
NSC30551063743-51-1DTXSID30316666AKOS000282198NSC-3055102-[(Ethylamino)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Database identifiers
- CAS
63743-51-1- PubChem CID
- 328074
- DTXSID
DTXSID30316666
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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