1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane

C7H14N2OS — CID 142135855

IUPAC1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane
SMILESCC.CN1CC(=O)N(C)C1=S
InChIInChI=1S/C5H8N2OS.C2H6/c1-6-3-4(8)7(2)5(6)9;1-2/h3H2,1-2H3;1-2H3
InChIKeySSFCFAGMBZJLFD-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.70
Rot. Bonds

About 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane

1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane (PubChem CID 142135855) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane.

Molecular Properties

Compound Name1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane
PubChem CID142135855
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane
SMILESCC.CN1CC(=O)N(C)C1=S
InChIInChI=1S/C5H8N2OS.C2H6/c1-6-3-4(8)7(2)5(6)9;1-2/h3H2,1-2H3;1-2H3
InChIKeySSFCFAGMBZJLFD-UHFFFAOYSA-N
XLogP0.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane?
The IUPAC name of 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane (CID 142135855) is 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane.
What is the SMILES notation for 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane?
The canonical SMILES for 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane is CC.CN1CC(=O)N(C)C1=S.
What is the InChIKey of 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane?
The InChIKey is SSFCFAGMBZJLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS.C2H6/c1-6-3-4(8)7(2)5(6)9;1-2/h3H2,1-2H3;1-2H3.
What are the key properties of 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane?
1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane has a molecular weight of 174.27 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane is sourced from PubChem (CID 142135855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).