1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene

C13H16OS — CID 58571549

IUPAC1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene
SMILESC=COCCSCc1ccc(C=C)cc1
InChIInChI=1S/C13H16OS/c1-3-12-5-7-13(8-6-12)11-15-10-9-14-4-2/h3-8H,1-2,9-11H2
InChIKeySIJVSJDCWVAUOH-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.72
Rot. Bonds7

About 1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene

1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene (PubChem CID 58571549) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene.

Molecular Properties

Compound Name1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene
PubChem CID58571549
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene
SMILESC=COCCSCc1ccc(C=C)cc1
InChIInChI=1S/C13H16OS/c1-3-12-5-7-13(8-6-12)11-15-10-9-14-4-2/h3-8H,1-2,9-11H2
InChIKeySIJVSJDCWVAUOH-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.72
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

1-(2-ethenoxyethyl)-4-ethenylbenzene
CID 23031073
2-[(4-ethenylphenyl)methylsulfanyl]-N,N-dimethylethanamine
CID 90254503
(4-ethenylphenyl)methyl-[2-[(4-ethenylphenyl)methylsulfanyl]ethyl]-dimethylazanium
CID 20764952
1-ethenoxypentane;1-ethenyl-4-ethylbenzene
CID 54369446
1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene
CID 14745002
1-ethenyl-4-(ethoxysulfanylmethyl)benzene
CID 175319601
(2,5-dihydroxypyrrol-1-yl) 3-[(4-ethenylphenyl)methylsulfanyl]propanoate
CID 57035006
1-ethenyl-4-(2-methoxyethyl)benzene
CID 66598261
2-[2-[2-[(4-ethenylphenyl)methylsulfanyl]ethylamino]-2-oxoethoxy]acetic acid
CID 19877918
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene?
The IUPAC name of 1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene (CID 58571549) is 1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene.
What is the SMILES notation for 1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene?
The canonical SMILES for 1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene is C=COCCSCc1ccc(C=C)cc1.
What is the InChIKey of 1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene?
The InChIKey is SIJVSJDCWVAUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c1-3-12-5-7-13(8-6-12)11-15-10-9-14-4-2/h3-8H,1-2,9-11H2.
What are the key properties of 1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene?
1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene has a molecular weight of 220.34 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene is sourced from PubChem (CID 58571549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).