(4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane

C10H14OS — CID 58248155

IUPAC(4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane
SMILESC=S(C)(=O)c1ccc(CC)cc1
InChIInChI=1S/C10H14OS/c1-4-9-5-7-10(8-6-9)12(2,3)11/h5-8H,2,4H2,1,3H3
InChIKeyRDZHQVBVKFPMBF-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.95
Rot. Bonds2

About (4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane

(4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane (PubChem CID 58248155) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is (4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane.

Molecular Properties

Compound Name(4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane
PubChem CID58248155
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name(4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane
SMILESC=S(C)(=O)c1ccc(CC)cc1
InChIInChI=1S/C10H14OS/c1-4-9-5-7-10(8-6-9)12(2,3)11/h5-8H,2,4H2,1,3H3
InChIKeyRDZHQVBVKFPMBF-UHFFFAOYSA-N
XLogP1.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-methylsulfonylbenzene
CID 143759723
(4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane
CID 147118244
calcium bis(4-ethylbenzenesulfonate)
CID 87263292
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
4-ethylbenzenesulfonothioamide
CID 154167373
(4-ethylphenyl)sulfonylformonitrile
CID 117036973
(4-ethylphenyl)-(4-methylsulfonylphenyl)methanone
CID 43338338
1,4-diethylbenzene;oxoalumane
CID 174317758
N,4-diethyl-N-methylbenzenesulfonamide
CID 142914245
1-(4-ethylphenyl)sulfonyl-N-methylmethanamine
CID 117036131
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane?
The IUPAC name of (4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane (CID 58248155) is (4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane.
What is the SMILES notation for (4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane?
The canonical SMILES for (4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane is C=S(C)(=O)c1ccc(CC)cc1.
What is the InChIKey of (4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane?
The InChIKey is RDZHQVBVKFPMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-4-9-5-7-10(8-6-9)12(2,3)11/h5-8H,2,4H2,1,3H3.
What are the key properties of (4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane?
(4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane has a molecular weight of 182.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane is sourced from PubChem (CID 58248155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).