1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane

C14H12N2O2S2 — CID 54332759

IUPAC1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane
SMILESCc1ccc(S(=O)(=S)Oc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H12N2O2S2/c1-10-6-8-11(9-7-10)20(17,19)18-14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3,(H,15,16)
InChIKeySZMLFMICULRGAR-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.97
Rot. Bonds3

About 1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane

1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane (PubChem CID 54332759) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Name1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane
PubChem CID54332759
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC Name1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane
SMILESCc1ccc(S(=O)(=S)Oc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H12N2O2S2/c1-10-6-8-11(9-7-10)20(17,19)18-14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3,(H,15,16)
InChIKeySZMLFMICULRGAR-UHFFFAOYSA-N
XLogP2.97
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of 1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane (CID 54332759) is 1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for 1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for 1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane is Cc1ccc(S(=O)(=S)Oc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is SZMLFMICULRGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c1-10-6-8-11(9-7-10)20(17,19)18-14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3,(H,15,16).
What are the key properties of 1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane?
1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 304.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 54332759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).