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

C7H6N2OS2 — CID 135473674

IUPAC2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCSc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C7H6N2OS2/c1-11-7-8-4-2-3-12-5(4)6(10)9-7/h2-3H,1H3,(H,8,9,10)
InChIKeyOSEVYTJMMHAQGG-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.71
Rot. Bonds1

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

2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135473674) has the molecular formula C7H6N2OS2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135473674
Molecular FormulaC7H6N2OS2
Molecular Weight198.27 g/mol
Exact Mass197.99
IUPAC Name2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCSc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C7H6N2OS2/c1-11-7-8-4-2-3-12-5(4)6(10)9-7/h2-3H,1H3,(H,8,9,10)
InChIKeyOSEVYTJMMHAQGG-UHFFFAOYSA-N
XLogP1.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135417422
2-(chloromethyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135416191
N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)thiophene-2-carboxamide
CID 2810073
N-(4-oxo-4H-thieno[3,2-d][1,3]thiazin-2-yl)cyclobutanecarboxamide
CID 2810229
2-(phenylamino)-4H-thieno[3,2-d][1,3]thiazin-4-one
CID 3239546
2-(Benzylsulfanyl)thieno[3,2-d]pyrimidin-4-ol
CID 135439659
3-Ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729736
3-(Methylamino)-3,4-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2806117
3-(dimethylamino)thieno[3,2-d]pyrimidin-4(3H)-one
CID 1478283
2-((methylamino)methyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 135600413
3-ethyl-2-(propylsulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 3484012
2-(methylsulfanyl)-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 5221753

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one (CID 135473674) is 2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one is CSc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of 2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is OSEVYTJMMHAQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS2/c1-11-7-8-4-2-3-12-5(4)6(10)9-7/h2-3H,1H3,(H,8,9,10).
What are the key properties of 2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one?
2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 198.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135473674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).