1-ethylsulfanyl-2-(1-methoxyethenyl)benzene

C11H14OS — CID 167284079

IUPAC1-ethylsulfanyl-2-(1-methoxyethenyl)benzene
SMILESC=C(OC)c1ccccc1SCC
InChIInChI=1S/C11H14OS/c1-4-13-11-8-6-5-7-10(11)9(2)12-3/h5-8H,2,4H2,1,3H3
InChIKeyVIBBCTVVGDHXDW-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.42
Rot. Bonds4

About 1-ethylsulfanyl-2-(1-methoxyethenyl)benzene

1-ethylsulfanyl-2-(1-methoxyethenyl)benzene (PubChem CID 167284079) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-ethylsulfanyl-2-(1-methoxyethenyl)benzene.

Molecular Properties

Compound Name1-ethylsulfanyl-2-(1-methoxyethenyl)benzene
PubChem CID167284079
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name1-ethylsulfanyl-2-(1-methoxyethenyl)benzene
SMILESC=C(OC)c1ccccc1SCC
InChIInChI=1S/C11H14OS/c1-4-13-11-8-6-5-7-10(11)9(2)12-3/h5-8H,2,4H2,1,3H3
InChIKeyVIBBCTVVGDHXDW-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658549
[2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658293
dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 2210400
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658568
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658348
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658386
1-[2-(1-methoxyethenyl)phenyl]ethanone
CID 121440840
2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
CID 17204466
2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide
CID 32935041
2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide
CID 24624411
2-[(2-ethylsulfanylbenzoyl)amino]benzamide
CID 4631713
methyl 2-cyano-3-ethylsulfanylbenzoate
CID 91876242

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-2-(1-methoxyethenyl)benzene?
The IUPAC name of 1-ethylsulfanyl-2-(1-methoxyethenyl)benzene (CID 167284079) is 1-ethylsulfanyl-2-(1-methoxyethenyl)benzene.
What is the SMILES notation for 1-ethylsulfanyl-2-(1-methoxyethenyl)benzene?
The canonical SMILES for 1-ethylsulfanyl-2-(1-methoxyethenyl)benzene is C=C(OC)c1ccccc1SCC.
What is the InChIKey of 1-ethylsulfanyl-2-(1-methoxyethenyl)benzene?
The InChIKey is VIBBCTVVGDHXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-4-13-11-8-6-5-7-10(11)9(2)12-3/h5-8H,2,4H2,1,3H3.
What are the key properties of 1-ethylsulfanyl-2-(1-methoxyethenyl)benzene?
1-ethylsulfanyl-2-(1-methoxyethenyl)benzene has a molecular weight of 194.30 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-2-(1-methoxyethenyl)benzene is sourced from PubChem (CID 167284079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).