imino-methyl-(2-methylphenyl)-oxo-lambda6-sulfane

C8H11NOS — CID 642006

IUPACimino-methyl-(2-methylphenyl)-oxo-lambda6-sulfane
SMILES[H]N=S(C)(=O)c1ccccc1C
InChIInChI=1S/C8H11NOS/c1-7-5-3-4-6-8(7)11(2,9)10/h3-6,9H,1-2H3
InChIKeyYXYQWKDOYMFWKK-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.03
Rot. Bonds1

About imino-methyl-(2-methylphenyl)-oxo-lambda6-sulfane

imino-methyl-(2-methylphenyl)-oxo-lambda6-sulfane (PubChem CID 642006) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is imino-methyl-(2-methylphenyl)-oxo-lambda6-sulfane.

Molecular Properties

Compound Nameimino-methyl-(2-methylphenyl)-oxo-lambda6-sulfane
PubChem CID642006
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Nameimino-methyl-(2-methylphenyl)-oxo-lambda6-sulfane
SMILES[H]N=S(C)(=O)c1ccccc1C
InChIInChI=1S/C8H11NOS/c1-7-5-3-4-6-8(7)11(2,9)10/h3-6,9H,1-2H3
InChIKeyYXYQWKDOYMFWKK-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of imino-methyl-(2-methylphenyl)-oxo-lambda6-sulfane?
The IUPAC name of imino-methyl-(2-methylphenyl)-oxo-lambda6-sulfane (CID 642006) is imino-methyl-(2-methylphenyl)-oxo-lambda6-sulfane.
What is the SMILES notation for imino-methyl-(2-methylphenyl)-oxo-lambda6-sulfane?
The canonical SMILES for imino-methyl-(2-methylphenyl)-oxo-lambda6-sulfane is [H]N=S(C)(=O)c1ccccc1C.
What is the InChIKey of imino-methyl-(2-methylphenyl)-oxo-lambda6-sulfane?
The InChIKey is YXYQWKDOYMFWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-7-5-3-4-6-8(7)11(2,9)10/h3-6,9H,1-2H3.
What are the key properties of imino-methyl-(2-methylphenyl)-oxo-lambda6-sulfane?
imino-methyl-(2-methylphenyl)-oxo-lambda6-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-(2-methylphenyl)-oxo-lambda6-sulfane is sourced from PubChem (CID 642006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).