2-ethylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

C8H10N2OS2 — CID 135449010

IUPAC2-ethylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCCSc1nc2c(c(=O)[nH]1)CSC2
InChIInChI=1S/C8H10N2OS2/c1-2-13-8-9-6-4-12-3-5(6)7(11)10-8/h2-4H2,1H3,(H,9,10,11)
InChIKeyLYRFRAGJINNJEF-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.63
Rot. Bonds2

About 2-ethylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

2-ethylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (PubChem CID 135449010) has the molecular formula C8H10N2OS2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-ethylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
PubChem CID135449010
Molecular FormulaC8H10N2OS2
Molecular Weight214.31 g/mol
Exact Mass214.02
IUPAC Name2-ethylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCCSc1nc2c(c(=O)[nH]1)CSC2
InChIInChI=1S/C8H10N2OS2/c1-2-13-8-9-6-4-12-3-5(6)7(11)10-8/h2-4H2,1H3,(H,9,10,11)
InChIKeyLYRFRAGJINNJEF-UHFFFAOYSA-N
XLogP1.63
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-ethylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (CID 135449010) is 2-ethylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-ethylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-ethylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is CCSc1nc2c(c(=O)[nH]1)CSC2.
What is the InChIKey of 2-ethylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The InChIKey is LYRFRAGJINNJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS2/c1-2-13-8-9-6-4-12-3-5(6)7(11)10-8/h2-4H2,1H3,(H,9,10,11).
What are the key properties of 2-ethylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
2-ethylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one has a molecular weight of 214.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135449010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).