1-ethenyl-4-(1-phenylsulfanylethyl)benzene

C16H16S — CID 70426639

IUPAC1-ethenyl-4-(1-phenylsulfanylethyl)benzene
SMILESC=Cc1ccc(C(C)Sc2ccccc2)cc1
InChIInChI=1S/C16H16S/c1-3-14-9-11-15(12-10-14)13(2)17-16-7-5-4-6-8-16/h3-13H,1H2,2H3
InChIKeySELSDAXKFYYXBV-UHFFFAOYSA-N
MW240.37 g/mol
LogP5.18
Rot. Bonds4

About 1-ethenyl-4-(1-phenylsulfanylethyl)benzene

1-ethenyl-4-(1-phenylsulfanylethyl)benzene (PubChem CID 70426639) has the molecular formula C16H16S and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-ethenyl-4-(1-phenylsulfanylethyl)benzene.

Molecular Properties

Compound Name1-ethenyl-4-(1-phenylsulfanylethyl)benzene
PubChem CID70426639
Molecular FormulaC16H16S
Molecular Weight240.37 g/mol
Exact Mass240.10
IUPAC Name1-ethenyl-4-(1-phenylsulfanylethyl)benzene
SMILESC=Cc1ccc(C(C)Sc2ccccc2)cc1
InChIInChI=1S/C16H16S/c1-3-14-9-11-15(12-10-14)13(2)17-16-7-5-4-6-8-16/h3-13H,1H2,2H3
InChIKeySELSDAXKFYYXBV-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.37
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 4-[(1S)-1-phenylsulfanylethyl]benzoate
CID 129404975
benzene;ethane;styrene
CID 21219610
methyl(triphenyl)phosphanium;styrene
CID 174886967
2-methylpropanal;styrene
CID 142676014
3-(1-phenylethylsulfanyl)aniline
CID 23120267
ethyl(trimethyl)azanium;2-methylpropane;styrene
CID 90953854
chloromethane;styrene
CID 122701035
3-[1-(cyclodecapentaenylsulfanyl)ethyl]-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene
CID 154990828
benzene;ethene;styrene
CID 159006852
CID 57450570
CID 57450570
cadmium;styrene
CID 158944156
styrene;tetrahydrofluoride
CID 68985344

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(1-phenylsulfanylethyl)benzene?
The IUPAC name of 1-ethenyl-4-(1-phenylsulfanylethyl)benzene (CID 70426639) is 1-ethenyl-4-(1-phenylsulfanylethyl)benzene.
What is the SMILES notation for 1-ethenyl-4-(1-phenylsulfanylethyl)benzene?
The canonical SMILES for 1-ethenyl-4-(1-phenylsulfanylethyl)benzene is C=Cc1ccc(C(C)Sc2ccccc2)cc1.
What is the InChIKey of 1-ethenyl-4-(1-phenylsulfanylethyl)benzene?
The InChIKey is SELSDAXKFYYXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S/c1-3-14-9-11-15(12-10-14)13(2)17-16-7-5-4-6-8-16/h3-13H,1H2,2H3.
What are the key properties of 1-ethenyl-4-(1-phenylsulfanylethyl)benzene?
1-ethenyl-4-(1-phenylsulfanylethyl)benzene has a molecular weight of 240.37 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(1-phenylsulfanylethyl)benzene is sourced from PubChem (CID 70426639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).