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

C7H8N2OS2 — CID 135498217

IUPAC2-methylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCSc1nc2c(c(=O)[nH]1)CSC2
InChIInChI=1S/C7H8N2OS2/c1-11-7-8-5-3-12-2-4(5)6(10)9-7/h2-3H2,1H3,(H,8,9,10)
InChIKeyFHFMMHGKZZQTNT-UHFFFAOYSA-N
MW200.29 g/mol
LogP1.24
Rot. Bonds1

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

2-methylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (PubChem CID 135498217) has the molecular formula C7H8N2OS2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-methylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
PubChem CID135498217
Molecular FormulaC7H8N2OS2
Molecular Weight200.29 g/mol
Exact Mass200.01
IUPAC Name2-methylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCSc1nc2c(c(=O)[nH]1)CSC2
InChIInChI=1S/C7H8N2OS2/c1-11-7-8-5-3-12-2-4(5)6(10)9-7/h2-3H2,1H3,(H,8,9,10)
InChIKeyFHFMMHGKZZQTNT-UHFFFAOYSA-N
XLogP1.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (CID 135498217) is 2-methylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is CSc1nc2c(c(=O)[nH]1)CSC2.
What is the InChIKey of 2-methylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The InChIKey is FHFMMHGKZZQTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS2/c1-11-7-8-5-3-12-2-4(5)6(10)9-7/h2-3H2,1H3,(H,8,9,10).
What are the key properties of 2-methylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
2-methylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one has a molecular weight of 200.29 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135498217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).