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

C8H11NOS — CID 25041566

IUPACimino-methyl-(4-methylphenyl)-oxo-λ6-sulfane
SMILES[H]N=[S@](C)(=O)c1ccc(C)cc1
InChIInChI=1S/C8H11NOS/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6,9H,1-2H3/t11-/m1/s1
InChIKeyXOMQMMJNWFJFBZ-LLVKDONJSA-N
MW169.25 g/mol
LogP2.03
Rot. Bonds1

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

imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane (PubChem CID 25041566) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-(4-methylphenyl)-oxo-λ6-sulfane
PubChem CID25041566
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Nameimino-methyl-(4-methylphenyl)-oxo-λ6-sulfane
SMILES[H]N=[S@](C)(=O)c1ccc(C)cc1
InChIInChI=1S/C8H11NOS/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6,9H,1-2H3/t11-/m1/s1
InChIKeyXOMQMMJNWFJFBZ-LLVKDONJSA-N
XLogP2.03
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

imino-bis(4-methylphenyl)-oxo-λ6-sulfane
CID 54310635
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
(4-methylphenyl)sulfonyloxidanium
CID 5175018
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
tris(4-methylbenzenesulfonate);praseodymium(3+)
CID 102466575
4-methylbenzenesulfonic acid
CID 157221593
antimony(3+);tris(4-methylbenzenesulfonate)
CID 86736930
CID 173032545
CID 173032545
magnesium bis(4-methylbenzenesulfonate)
CID 12011810

Frequently Asked Questions

What is the IUPAC name of imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane?
The IUPAC name of imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane (CID 25041566) is imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane.
What is the SMILES notation for imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane?
The canonical SMILES for imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane is [H]N=[S@](C)(=O)c1ccc(C)cc1.
What is the InChIKey of imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane?
The InChIKey is XOMQMMJNWFJFBZ-LLVKDONJSA-N. The full InChI is InChI=1S/C8H11NOS/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6,9H,1-2H3/t11-/m1/s1.
What are the key properties of imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane?
imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane has a molecular weight of 169.25 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane is sourced from PubChem (CID 25041566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).