imino-(2-methylsulfanylphenyl)-oxo-phenyl-λ6-sulfane

C13H13NOS2 — CID 170222230

IUPACimino-(2-methylsulfanylphenyl)-oxo-phenyl-λ6-sulfane
SMILES[H]N=S(=O)(c1ccccc1)c1ccccc1SC
InChIInChI=1S/C13H13NOS2/c1-16-12-9-5-6-10-13(12)17(14,15)11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKeyBPVCPVGENGDZCR-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.87
Rot. Bonds3

About imino-(2-methylsulfanylphenyl)-oxo-phenyl-λ6-sulfane

imino-(2-methylsulfanylphenyl)-oxo-phenyl-λ6-sulfane (PubChem CID 170222230) has the molecular formula C13H13NOS2 and a molecular weight of 263.39 g/mol. Its IUPAC name is imino-(2-methylsulfanylphenyl)-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Nameimino-(2-methylsulfanylphenyl)-oxo-phenyl-λ6-sulfane
PubChem CID170222230
Molecular FormulaC13H13NOS2
Molecular Weight263.39 g/mol
Exact Mass263.04
IUPAC Nameimino-(2-methylsulfanylphenyl)-oxo-phenyl-λ6-sulfane
SMILES[H]N=S(=O)(c1ccccc1)c1ccccc1SC
InChIInChI=1S/C13H13NOS2/c1-16-12-9-5-6-10-13(12)17(14,15)11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKeyBPVCPVGENGDZCR-UHFFFAOYSA-N
XLogP3.87
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imino-(2-methylsulfanylphenyl)-oxo-phenyl-λ6-sulfane?
The IUPAC name of imino-(2-methylsulfanylphenyl)-oxo-phenyl-λ6-sulfane (CID 170222230) is imino-(2-methylsulfanylphenyl)-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for imino-(2-methylsulfanylphenyl)-oxo-phenyl-λ6-sulfane?
The canonical SMILES for imino-(2-methylsulfanylphenyl)-oxo-phenyl-λ6-sulfane is [H]N=S(=O)(c1ccccc1)c1ccccc1SC.
What is the InChIKey of imino-(2-methylsulfanylphenyl)-oxo-phenyl-λ6-sulfane?
The InChIKey is BPVCPVGENGDZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS2/c1-16-12-9-5-6-10-13(12)17(14,15)11-7-3-2-4-8-11/h2-10,14H,1H3.
What are the key properties of imino-(2-methylsulfanylphenyl)-oxo-phenyl-λ6-sulfane?
imino-(2-methylsulfanylphenyl)-oxo-phenyl-λ6-sulfane has a molecular weight of 263.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-(2-methylsulfanylphenyl)-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 170222230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).