Cyclohexyl 2-(5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ace tate
Completing data — refresh the page later to see the latest
Basic information
- CAS
606107-53-3- Standard SMILES
Cc1sc2[nH]c(SCC(=O)OC3CCCCC3)nc(=O)c2c1C- InChIKey
QBPKSXXMQYPPSW-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3S2
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.09153485
Names & identifiers
- Preferred name
- Cyclohexyl 2-(5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ace tate
- IUPAC
- cyclohexyl 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
- English name
- Acetic acid, [(1,4-dihydro-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)thio]-, cyclohexyl ester (9CI)
- Molecular formula
- C16H20N2O3S2
- Molecular weight
- 352.47
Names & synonyms
AKOS000655494ST50279288cyclohexyl 2-(5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)ace tateAcetic acid, 2-[(1,4-dihydro-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)thio]-, cyclohexyl esterAcetic acid, [(1,4-dihydro-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)thio]-, cyclohexyl ester (9CI)
Database identifiers
- CAS
606107-53-3- PubChem CID
- 1460237
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 506
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…