(3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane

C10H15NOS — CID 125425039

IUPAC(3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
SMILES[H]N=[S@@](=O)(CC)c1ccc(C)c(C)c1
InChIInChI=1S/C10H15NOS/c1-4-13(11,12)10-6-5-8(2)9(3)7-10/h5-7,11H,4H2,1-3H3/t13-/m1/s1
InChIKeyQYJFVWHPIWLNNM-CYBMUJFWSA-N
MW197.30 g/mol
LogP2.73
Rot. Bonds2

About (3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane

(3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane (PubChem CID 125425039) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
PubChem CID125425039
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
SMILES[H]N=[S@@](=O)(CC)c1ccc(C)c(C)c1
InChIInChI=1S/C10H15NOS/c1-4-13(11,12)10-6-5-8(2)9(3)7-10/h5-7,11H,4H2,1-3H3/t13-/m1/s1
InChIKeyQYJFVWHPIWLNNM-CYBMUJFWSA-N
XLogP2.73
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane
CID 135226970
4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene
CID 90181116
1,2-dimethyl-4-methylsulfonylbenzene;ethane
CID 142336805
tris(3,4-dimethylbenzenesulfonate);indium(3+)
CID 18547268
gallium tris(3,4-dimethylbenzenesulfonate)
CID 22603969
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3,4-dimethylbenzenesulfonic acid;iron
CID 174654800
3,4-dimethylbenzenesulfonic acid;hydrate
CID 155773835
(2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125424557
3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 8893165
3-(3,4-dimethylphenyl)sulfonylpentanenitrile
CID 64691790
3-(3,4-dimethylphenyl)sulfonyl-2-methylpropan-1-amine
CID 64697371

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane?
The IUPAC name of (3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane (CID 125425039) is (3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane.
What is the SMILES notation for (3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane?
The canonical SMILES for (3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane is [H]N=[S@@](=O)(CC)c1ccc(C)c(C)c1.
What is the InChIKey of (3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane?
The InChIKey is QYJFVWHPIWLNNM-CYBMUJFWSA-N. The full InChI is InChI=1S/C10H15NOS/c1-4-13(11,12)10-6-5-8(2)9(3)7-10/h5-7,11H,4H2,1-3H3/t13-/m1/s1.
What are the key properties of (3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane?
(3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane has a molecular weight of 197.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane is sourced from PubChem (CID 125425039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).