imino-bis(4-methylphenyl)-oxo-λ6-sulfane

C14H15NOS — CID 54310635

IUPACimino-bis(4-methylphenyl)-oxo-λ6-sulfane
SMILES[H]N=S(=O)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C14H15NOS/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
InChIKeySKPWJLQVXAFKKH-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.77
Rot. Bonds2

About imino-bis(4-methylphenyl)-oxo-λ6-sulfane

imino-bis(4-methylphenyl)-oxo-λ6-sulfane (PubChem CID 54310635) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is imino-bis(4-methylphenyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-bis(4-methylphenyl)-oxo-λ6-sulfane
PubChem CID54310635
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Nameimino-bis(4-methylphenyl)-oxo-λ6-sulfane
SMILES[H]N=S(=O)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C14H15NOS/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
InChIKeySKPWJLQVXAFKKH-UHFFFAOYSA-N
XLogP3.77
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane
CID 25041566
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
dimethylphosphanium;4-methylbenzenesulfonate
CID 157165393
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
(4-methylphenyl)sulfonyloxidanium
CID 5175018
4-methylbenzenesulfonic acid
CID 157221593
antimony(3+);tris(4-methylbenzenesulfonate)
CID 86736930
tris(4-methylbenzenesulfonate);praseodymium(3+)
CID 102466575
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806

Frequently Asked Questions

What is the IUPAC name of imino-bis(4-methylphenyl)-oxo-λ6-sulfane?
The IUPAC name of imino-bis(4-methylphenyl)-oxo-λ6-sulfane (CID 54310635) is imino-bis(4-methylphenyl)-oxo-λ6-sulfane.
What is the SMILES notation for imino-bis(4-methylphenyl)-oxo-λ6-sulfane?
The canonical SMILES for imino-bis(4-methylphenyl)-oxo-λ6-sulfane is [H]N=S(=O)(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of imino-bis(4-methylphenyl)-oxo-λ6-sulfane?
The InChIKey is SKPWJLQVXAFKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3.
What are the key properties of imino-bis(4-methylphenyl)-oxo-λ6-sulfane?
imino-bis(4-methylphenyl)-oxo-λ6-sulfane has a molecular weight of 245.35 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-bis(4-methylphenyl)-oxo-λ6-sulfane is sourced from PubChem (CID 54310635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).