[(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene

C11H14OS — CID 10821658

IUPAC[(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene
SMILESCSCCO/C=C/c1ccccc1
InChIInChI=1S/C11H14OS/c1-13-10-9-12-8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+
InChIKeyAEQJRSATWIGIIX-BQYQJAHWSA-N
MW194.30 g/mol
LogP3.04
Rot. Bonds5

About [(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene

[(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene (PubChem CID 10821658) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is [(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene
PubChem CID10821658
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name[(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene
SMILESCSCCO/C=C/c1ccccc1
InChIInChI=1S/C11H14OS/c1-13-10-9-12-8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+
InChIKeyAEQJRSATWIGIIX-BQYQJAHWSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethoxy)ethenylbenzene
CID 54340888
2-[(Z)-hex-3-enoxy]ethenylbenzene
CID 155674734
2-(chloromethoxy)ethenylbenzene
CID 54484183
2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol
CID 70115763
[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 5370626
2-(2-cyclohexyloxyethoxy)ethenylbenzene
CID 69034794
2-(3-methylpent-2-enoxy)ethenylbenzene
CID 170558651
2-[(E)-2-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethenoxy]-N,N-dimethylethanamine
CID 14711457
2-phenylethenyl hypochlorite
CID 174846966
[(E)-2-(2,2,3,3-tetrafluoropropoxy)ethenyl]benzene
CID 173305402
4-[(E)-2-[4-(2-methylsulfanylethoxy)phenyl]ethenyl]-2,6-diphenylpyrylium tetrafluoroborate
CID 21177733
[(E)-2-phenylethenyl]-tripropoxysilane
CID 22325671

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene?
The IUPAC name of [(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene (CID 10821658) is [(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene.
What is the SMILES notation for [(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene?
The canonical SMILES for [(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene is CSCCO/C=C/c1ccccc1.
What is the InChIKey of [(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene?
The InChIKey is AEQJRSATWIGIIX-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H14OS/c1-13-10-9-12-8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+.
What are the key properties of [(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene?
[(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene has a molecular weight of 194.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene is sourced from PubChem (CID 10821658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).