4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one

C8H6N2OS2 — CID 121206455

IUPAC4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one
SMILESO=c1[nH]c(-c2cccs2)cc(=S)[nH]1
InChIInChI=1S/C8H6N2OS2/c11-8-9-5(4-7(12)10-8)6-2-1-3-13-6/h1-4H,(H2,9,10,11,12)
InChIKeyAUCBPMYZPQDRLT-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.16
Rot. Bonds1

About 4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one

4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one (PubChem CID 121206455) has the molecular formula C8H6N2OS2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one
PubChem CID121206455
Molecular FormulaC8H6N2OS2
Molecular Weight210.28 g/mol
Exact Mass209.99
IUPAC Name4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one
SMILESO=c1[nH]c(-c2cccs2)cc(=S)[nH]1
InChIInChI=1S/C8H6N2OS2/c11-8-9-5(4-7(12)10-8)6-2-1-3-13-6/h1-4H,(H2,9,10,11,12)
InChIKeyAUCBPMYZPQDRLT-UHFFFAOYSA-N
XLogP2.16
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.16
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

2-sulfanylidene-6-thiophen-2-yl-1,3-thiazin-4-one
CID 760085
5-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,2-b]pyrrol-2-one
CID 175436255
3-methyl-2,5-dithiophen-2-yl-1H-pyrrole
CID 53445362
2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione
CID 106515564
5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one
CID 142730761
4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one
CID 139229492
4,7-difluoro-2-thiophen-2-yl-1H-indole
CID 131867723
6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione
CID 23648522
thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 174225728
acetonitrile;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 175553313
(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine
CID 54273607
5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
CID 102347965

Frequently Asked Questions

What is the IUPAC name of 4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one (CID 121206455) is 4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one is O=c1[nH]c(-c2cccs2)cc(=S)[nH]1.
What is the InChIKey of 4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one?
The InChIKey is AUCBPMYZPQDRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS2/c11-8-9-5(4-7(12)10-8)6-2-1-3-13-6/h1-4H,(H2,9,10,11,12).
What are the key properties of 4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one?
4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one has a molecular weight of 210.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 121206455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).