4-sulfanylidene-1H-thieno[3,2-d]pyrimidin-2-one

C6H4N2OS2 — CID 119093676

IUPAC4-sulfanylidene-1H-thieno[3,2-d]pyrimidin-2-one
SMILESO=c1[nH]c(=S)c2sccc2[nH]1
InChIInChI=1S/C6H4N2OS2/c9-6-7-3-1-2-11-4(3)5(10)8-6/h1-2H,(H2,7,8,9,10)
InChIKeyBGPXYHIEXPESLU-UHFFFAOYSA-N
MW184.25 g/mol
LogP1.65
Rot. Bonds

About 4-sulfanylidene-1H-thieno[3,2-d]pyrimidin-2-one

4-sulfanylidene-1H-thieno[3,2-d]pyrimidin-2-one (PubChem CID 119093676) has the molecular formula C6H4N2OS2 and a molecular weight of 184.25 g/mol. Its IUPAC name is 4-sulfanylidene-1H-thieno[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-sulfanylidene-1H-thieno[3,2-d]pyrimidin-2-one
PubChem CID119093676
Molecular FormulaC6H4N2OS2
Molecular Weight184.25 g/mol
Exact Mass183.98
IUPAC Name4-sulfanylidene-1H-thieno[3,2-d]pyrimidin-2-one
SMILESO=c1[nH]c(=S)c2sccc2[nH]1
InChIInChI=1S/C6H4N2OS2/c9-6-7-3-1-2-11-4(3)5(10)8-6/h1-2H,(H2,7,8,9,10)
InChIKeyBGPXYHIEXPESLU-UHFFFAOYSA-N
XLogP1.65
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-4H-thieno[3,2-b]pyridin-5-one
CID 154953939
3-cyclobutyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
CID 62414997
3-(4-methylphenyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
CID 4620997
3-(2-hydroxybutyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
CID 23259562
2,4-dichlorothieno[3,2-d]pyrimidine;phosphoryl trichloride;1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 162242288
6-thia-2,11,12-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7),4-triene-8,10,13-trione
CID 14906136
7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one
CID 168966904
2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one
CID 43396202
3-pentyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
CID 43525578
5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one
CID 66350432
3-(2-methylcyclopentyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
CID 63281933
3-(3,4-difluorophenyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
CID 43525707

Frequently Asked Questions

What is the IUPAC name of 4-sulfanylidene-1H-thieno[3,2-d]pyrimidin-2-one?
The IUPAC name of 4-sulfanylidene-1H-thieno[3,2-d]pyrimidin-2-one (CID 119093676) is 4-sulfanylidene-1H-thieno[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 4-sulfanylidene-1H-thieno[3,2-d]pyrimidin-2-one?
The canonical SMILES for 4-sulfanylidene-1H-thieno[3,2-d]pyrimidin-2-one is O=c1[nH]c(=S)c2sccc2[nH]1.
What is the InChIKey of 4-sulfanylidene-1H-thieno[3,2-d]pyrimidin-2-one?
The InChIKey is BGPXYHIEXPESLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS2/c9-6-7-3-1-2-11-4(3)5(10)8-6/h1-2H,(H2,7,8,9,10).
What are the key properties of 4-sulfanylidene-1H-thieno[3,2-d]pyrimidin-2-one?
4-sulfanylidene-1H-thieno[3,2-d]pyrimidin-2-one has a molecular weight of 184.25 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanylidene-1H-thieno[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 119093676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).