[(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene

C17H18S — CID 102425199

IUPAC[(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene
SMILESCCSC(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18S/c1-2-18-17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-14,17H,2H2,1H3/b14-13+
InChIKeyQWGCZBAQUPQGKU-BUHFOSPRSA-N
MW254.40 g/mol
LogP5.19
Rot. Bonds5

About [(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene

[(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene (PubChem CID 102425199) has the molecular formula C17H18S and a molecular weight of 254.40 g/mol. Its IUPAC name is [(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene.

Molecular Properties

Compound Name[(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene
PubChem CID102425199
Molecular FormulaC17H18S
Molecular Weight254.40 g/mol
Exact Mass254.11
IUPAC Name[(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene
SMILESCCSC(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18S/c1-2-18-17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-14,17H,2H2,1H3/b14-13+
InChIKeyQWGCZBAQUPQGKU-BUHFOSPRSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzyl Disulfide
CID 9012
Dibenzyl sulfide
CID 10867
Benzyl sulfoxide
CID 12116
1-Phenylethanethiol
CID 141850
Benzyl methyl sulfide
CID 13016
Trisulfide, bis(phenylmethyl)
CID 122842
[(E)-4-phenylbut-2-enyl]benzene
CID 5370638
alpha-Methylstyrene dimer
CID 22521
Dibenzyl sulfone
CID 69282
1,7-Diphenyl-1,3,5-heptratriene
CID 44560845
2-Phenyl-1,3-dithiane
CID 21547
Benzyl phenyl sulfide
CID 13255

Frequently Asked Questions

What is the IUPAC name of [(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene?
The IUPAC name of [(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene (CID 102425199) is [(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene.
What is the SMILES notation for [(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene?
The canonical SMILES for [(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene is CCSC(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene?
The InChIKey is QWGCZBAQUPQGKU-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H18S/c1-2-18-17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-14,17H,2H2,1H3/b14-13+.
What are the key properties of [(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene?
[(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene has a molecular weight of 254.40 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-ethylsulfanyl-3-phenylprop-2-enyl]benzene is sourced from PubChem (CID 102425199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).