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

C9H13NOS — CID 147118244

IUPAC(4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(CC)cc1
InChIInChI=1S/C9H13NOS/c1-3-8-4-6-9(7-5-8)12(2,10)11/h4-7,10H,3H2,1-2H3
InChIKeyBNVQMCXICZGATQ-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.28
Rot. Bonds2

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

(4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane (PubChem CID 147118244) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is (4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane
PubChem CID147118244
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name(4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(CC)cc1
InChIInChI=1S/C9H13NOS/c1-3-8-4-6-9(7-5-8)12(2,10)11/h4-7,10H,3H2,1-2H3
InChIKeyBNVQMCXICZGATQ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-methylsulfonylbenzene
CID 143759723
(4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane
CID 58248155
calcium bis(4-ethylbenzenesulfonate)
CID 87263292
imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane
CID 25041566
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
4-ethylbenzenesulfonothioamide
CID 154167373
(4-ethylphenyl)sulfonylformonitrile
CID 117036973
(4-ethylphenyl)-(4-methylsulfonylphenyl)methanone
CID 43338338
3-(4-ethylphenyl)sulfonyl-2,2-dimethylpropan-1-amine
CID 116853143
1,4-diethylbenzene;oxoalumane
CID 174317758
N,4-diethyl-N-methylbenzenesulfonamide
CID 142914245
1-(4-ethylphenyl)sulfonyl-N-methylmethanamine
CID 117036131

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of (4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane (CID 147118244) is (4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for (4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1ccc(CC)cc1.
What is the InChIKey of (4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane?
The InChIKey is BNVQMCXICZGATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-3-8-4-6-9(7-5-8)12(2,10)11/h4-7,10H,3H2,1-2H3.
What are the key properties of (4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane?
(4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane has a molecular weight of 183.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 147118244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).