Completing data — usually done within a minute
Basic information
- CAS
81766-02-1- Standard SMILES
Nc1nc2sc3c(c2c(=O)[nH]1)CCCC3- InChIKey
KMLONYHSKRNWBQ-UHFFFAOYSA-N- Molecular formula
- C10H11N3OS
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.06228316
Names & identifiers
- Preferred name
- 2-Amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one
- IUPAC
- 2-amino-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Names & synonyms
81766-02-12-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one2-Amino-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-oneNSC153286SCHEMBL1368915DTXSID80302736KMLONYHSKRNWBQ-UHFFFAOYSA-NAKOS000280090NSC-1532862-amino-5,6,7,8-tetrahydro[1]-benzothieno[2,3-d]pyrimidin-4(3H)-one2-amino-5,6,7,8-tetrahydro[l]benzothieno[2,3-d]pyrimidin-4(3H)-one
Database identifiers
- CAS
81766-02-1- PubChem CID
- 290197
- DTXSID
DTXSID80302736
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 331
Related reactions
10 records
Compound notes
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