1-(methyl-oxo-thiophen-3-yl-lambda6-sulfanylidene)-3-phenylurea

C12H12N2O2S2 — CID 2821192

IUPAC1-(methyl-oxo-thiophen-3-yl-lambda6-sulfanylidene)-3-phenylurea
SMILESCS(=O)(=NC(=O)Nc1ccccc1)c1ccsc1
InChIInChI=1S/C12H12N2O2S2/c1-18(16,11-7-8-17-9-11)14-12(15)13-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,15)
InChIKeyPWGQLFJYFWFKCL-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.44
Rot. Bonds2

About 1-(methyl-oxo-thiophen-3-yl-lambda6-sulfanylidene)-3-phenylurea

1-(methyl-oxo-thiophen-3-yl-lambda6-sulfanylidene)-3-phenylurea (PubChem CID 2821192) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(methyl-oxo-thiophen-3-yl-lambda6-sulfanylidene)-3-phenylurea.

Molecular Properties

Compound Name1-(methyl-oxo-thiophen-3-yl-lambda6-sulfanylidene)-3-phenylurea
PubChem CID2821192
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name1-(methyl-oxo-thiophen-3-yl-lambda6-sulfanylidene)-3-phenylurea
SMILESCS(=O)(=NC(=O)Nc1ccccc1)c1ccsc1
InChIInChI=1S/C12H12N2O2S2/c1-18(16,11-7-8-17-9-11)14-12(15)13-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,15)
InChIKeyPWGQLFJYFWFKCL-UHFFFAOYSA-N
XLogP3.44
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methyl-oxo-thiophen-3-yl-lambda6-sulfanylidene)-3-phenylurea?
The IUPAC name of 1-(methyl-oxo-thiophen-3-yl-lambda6-sulfanylidene)-3-phenylurea (CID 2821192) is 1-(methyl-oxo-thiophen-3-yl-lambda6-sulfanylidene)-3-phenylurea.
What is the SMILES notation for 1-(methyl-oxo-thiophen-3-yl-lambda6-sulfanylidene)-3-phenylurea?
The canonical SMILES for 1-(methyl-oxo-thiophen-3-yl-lambda6-sulfanylidene)-3-phenylurea is CS(=O)(=NC(=O)Nc1ccccc1)c1ccsc1.
What is the InChIKey of 1-(methyl-oxo-thiophen-3-yl-lambda6-sulfanylidene)-3-phenylurea?
The InChIKey is PWGQLFJYFWFKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-18(16,11-7-8-17-9-11)14-12(15)13-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,15).
What are the key properties of 1-(methyl-oxo-thiophen-3-yl-lambda6-sulfanylidene)-3-phenylurea?
1-(methyl-oxo-thiophen-3-yl-lambda6-sulfanylidene)-3-phenylurea has a molecular weight of 280.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyl-oxo-thiophen-3-yl-lambda6-sulfanylidene)-3-phenylurea is sourced from PubChem (CID 2821192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).