5-(2-methylthiophen-3-yl)-2-sulfanylideneimidazolidin-4-one

C8H8N2OS2 — CID 130581585

IUPAC5-(2-methylthiophen-3-yl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1sccc1C1NC(=S)NC1=O
InChIInChI=1S/C8H8N2OS2/c1-4-5(2-3-13-4)6-7(11)10-8(12)9-6/h2-3,6H,1H3,(H2,9,10,11,12)
InChIKeyPGMWEPINQHLTCV-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.10
Rot. Bonds1

About 5-(2-methylthiophen-3-yl)-2-sulfanylideneimidazolidin-4-one

5-(2-methylthiophen-3-yl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 130581585) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-(2-methylthiophen-3-yl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(2-methylthiophen-3-yl)-2-sulfanylideneimidazolidin-4-one
PubChem CID130581585
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name5-(2-methylthiophen-3-yl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1sccc1C1NC(=S)NC1=O
InChIInChI=1S/C8H8N2OS2/c1-4-5(2-3-13-4)6-7(11)10-8(12)9-6/h2-3,6H,1H3,(H2,9,10,11,12)
InChIKeyPGMWEPINQHLTCV-UHFFFAOYSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.10
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-5-thiophen-3-ylimidazolidin-4-one
CID 82997071
5-(3-bromo-4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 105404308
5-(3-methylthiophen-2-yl)imidazolidine-2,4-dione
CID 16783898
(5R)-5-(3-methylthiophen-2-yl)imidazolidine-2,4-dione
CID 98150794
5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 82997208
5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 82997078
5-(2-bromo-4,5-dimethoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CID 82997070
5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one
CID 112671694
(1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 168869352
1-(6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-5-yl)ethanone
CID 6612402
5-[4-(difluoromethoxy)phenyl]-2-sulfanylideneimidazolidin-4-one
CID 82997067
ethane;5-methyl-2-sulfanylideneimidazolidin-4-one
CID 142805949

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylthiophen-3-yl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(2-methylthiophen-3-yl)-2-sulfanylideneimidazolidin-4-one (CID 130581585) is 5-(2-methylthiophen-3-yl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(2-methylthiophen-3-yl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(2-methylthiophen-3-yl)-2-sulfanylideneimidazolidin-4-one is Cc1sccc1C1NC(=S)NC1=O.
What is the InChIKey of 5-(2-methylthiophen-3-yl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is PGMWEPINQHLTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c1-4-5(2-3-13-4)6-7(11)10-8(12)9-6/h2-3,6H,1H3,(H2,9,10,11,12).
What are the key properties of 5-(2-methylthiophen-3-yl)-2-sulfanylideneimidazolidin-4-one?
5-(2-methylthiophen-3-yl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 212.30 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylthiophen-3-yl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 130581585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).