2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one

C10H10N2OS2 — CID 62402551

IUPAC2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one
SMILESO=c1ccn(CCc2cccs2)c(=S)[nH]1
InChIInChI=1S/C10H10N2OS2/c13-9-4-6-12(10(14)11-9)5-3-8-2-1-7-15-8/h1-2,4,6-7H,3,5H2,(H,11,13,14)
InChIKeyCCKNWQYGWWWPKT-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.21
Rot. Bonds3

About 2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one

2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one (PubChem CID 62402551) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one
PubChem CID62402551
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one
SMILESO=c1ccn(CCc2cccs2)c(=S)[nH]1
InChIInChI=1S/C10H10N2OS2/c13-9-4-6-12(10(14)11-9)5-3-8-2-1-7-15-8/h1-2,4,6-7H,3,5H2,(H,11,13,14)
InChIKeyCCKNWQYGWWWPKT-UHFFFAOYSA-N
XLogP2.21
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-(2-thiophen-2-ylethyl)-1H-imidazole-2-thione
CID 81335373
1-(2-pyridin-4-ylethyl)-2-sulfanylidenepyrimidin-4-one
CID 62403612
2-sulfanylidene-1-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 63227934
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
1-(2-pyridin-3-ylethyl)-2-sulfanylidenepyrimidin-4-one
CID 62403614
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 37484139
2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid
CID 82901967
1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone
CID 79106807
3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 90610633
2-sulfanylidene-1-(1-thiophen-2-ylethyl)pyrimidin-4-one
CID 62402376
7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione
CID 113458929
5-bromo-1-(2-thiophen-2-ylethyl)pyridin-2-one
CID 66308274

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one?
The IUPAC name of 2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one (CID 62402551) is 2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one?
The canonical SMILES for 2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one is O=c1ccn(CCc2cccs2)c(=S)[nH]1.
What is the InChIKey of 2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one?
The InChIKey is CCKNWQYGWWWPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2/c13-9-4-6-12(10(14)11-9)5-3-8-2-1-7-15-8/h1-2,4,6-7H,3,5H2,(H,11,13,14).
What are the key properties of 2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one?
2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one has a molecular weight of 238.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 62402551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).