imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane

C8H11NO2S — CID 102433412

IUPACimino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1cccc(OC)c1
InChIInChI=1S/C8H11NO2S/c1-11-7-4-3-5-8(6-7)12(2,9)10/h3-6,9H,1-2H3
InChIKeyMWKKHJXJLJJQNF-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.73
Rot. Bonds2

About imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane

imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane (PubChem CID 102433412) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
PubChem CID102433412
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Nameimino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1cccc(OC)c1
InChIInChI=1S/C8H11NO2S/c1-11-7-4-3-5-8(6-7)12(2,9)10/h3-6,9H,1-2H3
InChIKeyMWKKHJXJLJJQNF-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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Related Compounds

3-methoxybenzenesulfonamide
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3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
dihydroxy-(3-methoxyphenyl)-methyl-λ4-sulfane
CID 58227638
(3-methoxyphenyl)sulfonyl-methylazanide
CID 59280617
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
CID 172849383
CID 172849383
but-2-ene;3-methoxybenzenesulfonic acid
CID 175366995
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
1-methoxy-3-(4-propylphenyl)sulfonylbenzene
CID 178027027
N-diazo-3-methoxybenzenesulfonamide
CID 81259171
1-(diazomethylsulfonyl)-3-methoxybenzene
CID 141438234
imino-[3-[(7-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane
CID 166561868

Frequently Asked Questions

What is the IUPAC name of imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane?
The IUPAC name of imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane (CID 102433412) is imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane.
What is the SMILES notation for imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane?
The canonical SMILES for imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1cccc(OC)c1.
What is the InChIKey of imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane?
The InChIKey is MWKKHJXJLJJQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-11-7-4-3-5-8(6-7)12(2,9)10/h3-6,9H,1-2H3.
What are the key properties of imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane?
imino-(3-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-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 102433412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).