Basic information
- CAS
63743-52-2- Standard SMILES
O=c1[nH]c(CNCCO)nc2sc3c(c12)CCCC3- InChIKey
NYNPYTCYRZIEKB-UHFFFAOYSA-N- Molecular formula
- C13H17N3O2S
- Average molar mass
- 279.36 g/mol
- Monoisotopic mass
- 279.10414797
Names & identifiers
- Preferred name
- 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- IUPAC
- 2-[(2-hydroxyethylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Names & synonyms
NSC30551163743-52-2DTXSID90316667NSC-3055112-{[(2-Hydroxyethyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Database identifiers
- CAS
63743-52-2- PubChem CID
- 328075
- DTXSID
DTXSID90316667
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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