imino-(2-methoxyphenyl)-methyl-oxo-λ6-sulfane

C8H11NO2S — CID 86018121

IUPACimino-(2-methoxyphenyl)-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccccc1OC
InChIInChI=1S/C8H11NO2S/c1-11-7-5-3-4-6-8(7)12(2,9)10/h3-6,9H,1-2H3
InChIKeyBSTGEFDBACVVDH-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.73
Rot. Bonds2

About imino-(2-methoxyphenyl)-methyl-oxo-λ6-sulfane

imino-(2-methoxyphenyl)-methyl-oxo-λ6-sulfane (PubChem CID 86018121) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is imino-(2-methoxyphenyl)-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-(2-methoxyphenyl)-methyl-oxo-λ6-sulfane
PubChem CID86018121
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Nameimino-(2-methoxyphenyl)-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccccc1OC
InChIInChI=1S/C8H11NO2S/c1-11-7-5-3-4-6-8(7)12(2,9)10/h3-6,9H,1-2H3
InChIKeyBSTGEFDBACVVDH-UHFFFAOYSA-N
XLogP1.73
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imino-(2-methoxyphenyl)-methyl-oxo-λ6-sulfane?
The IUPAC name of imino-(2-methoxyphenyl)-methyl-oxo-λ6-sulfane (CID 86018121) is imino-(2-methoxyphenyl)-methyl-oxo-λ6-sulfane.
What is the SMILES notation for imino-(2-methoxyphenyl)-methyl-oxo-λ6-sulfane?
The canonical SMILES for imino-(2-methoxyphenyl)-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1ccccc1OC.
What is the InChIKey of imino-(2-methoxyphenyl)-methyl-oxo-λ6-sulfane?
The InChIKey is BSTGEFDBACVVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-11-7-5-3-4-6-8(7)12(2,9)10/h3-6,9H,1-2H3.
What are the key properties of imino-(2-methoxyphenyl)-methyl-oxo-λ6-sulfane?
imino-(2-methoxyphenyl)-methyl-oxo-λ6-sulfane has a molecular weight of 185.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-(2-methoxyphenyl)-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 86018121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).