ethyl-imino-(4-methylphenyl)-oxo-lambda6-sulfane

C9H13NOS — CID 571681

IUPACethyl-imino-(4-methylphenyl)-oxo-lambda6-sulfane
SMILES[H]N=S(=O)(CC)c1ccc(C)cc1
InChIInChI=1S/C9H13NOS/c1-3-12(10,11)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeyJODYLFWNTQXLNT-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.42
Rot. Bonds2

About ethyl-imino-(4-methylphenyl)-oxo-lambda6-sulfane

ethyl-imino-(4-methylphenyl)-oxo-lambda6-sulfane (PubChem CID 571681) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is ethyl-imino-(4-methylphenyl)-oxo-lambda6-sulfane.

Molecular Properties

Compound Nameethyl-imino-(4-methylphenyl)-oxo-lambda6-sulfane
PubChem CID571681
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Nameethyl-imino-(4-methylphenyl)-oxo-lambda6-sulfane
SMILES[H]N=S(=O)(CC)c1ccc(C)cc1
InChIInChI=1S/C9H13NOS/c1-3-12(10,11)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeyJODYLFWNTQXLNT-UHFFFAOYSA-N
XLogP2.42
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl-imino-(4-methylphenyl)-oxo-lambda6-sulfane?
The IUPAC name of ethyl-imino-(4-methylphenyl)-oxo-lambda6-sulfane (CID 571681) is ethyl-imino-(4-methylphenyl)-oxo-lambda6-sulfane.
What is the SMILES notation for ethyl-imino-(4-methylphenyl)-oxo-lambda6-sulfane?
The canonical SMILES for ethyl-imino-(4-methylphenyl)-oxo-lambda6-sulfane is [H]N=S(=O)(CC)c1ccc(C)cc1.
What is the InChIKey of ethyl-imino-(4-methylphenyl)-oxo-lambda6-sulfane?
The InChIKey is JODYLFWNTQXLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-3-12(10,11)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3.
What are the key properties of ethyl-imino-(4-methylphenyl)-oxo-lambda6-sulfane?
ethyl-imino-(4-methylphenyl)-oxo-lambda6-sulfane has a molecular weight of 183.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-imino-(4-methylphenyl)-oxo-lambda6-sulfane is sourced from PubChem (CID 571681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).