Basic information
- CAS
667884-81-3- Standard SMILES
Cc1sc2nc(SCC(=O)c3cccs3)n(N)c(=O)c2c1C- InChIKey
SPWPOIXVTFWPHL-UHFFFAOYSA-N- Molecular formula
- C14H13N3O2S3
- Average molar mass
- 351.5 g/mol
Names & identifiers
- Preferred name
- 3-Amino-5,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one
- IUPAC
- 3-amino-5,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one
- English name
- 3-amino-5,6-dimethyl-2-{[2-oxo-2-(2-thienyl)ethyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C14H13N3O2S3
- Molecular weight
- 351.47
Names & synonyms
3-amino-5,6-dimethyl-2-{[2-oxo-2-(2-thienyl)ethyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one3-amino-5,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-oneAO-476/42169371Thieno[2,3-d]pyrimidin-4(3H)-one, 3-amino-5,6-dimethyl-2-[[2-oxo-2-(2-thienyl)ethyl]thio]-
Database identifiers
- CAS
667884-81-3
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 514
Physicochemical properties
- Boiling point
- 607.2 · 607.2±65.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- -2.81 · -2.81±0.20(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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