[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanylbenzene

C15H13FS — CID 135004220

IUPAC[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanylbenzene
SMILESC/C(=C(/F)Sc1ccccc1)c1ccccc1
InChIInChI=1S/C15H13FS/c1-12(13-8-4-2-5-9-13)15(16)17-14-10-6-3-7-11-14/h2-11H,1H3/b15-12+
InChIKeyKIKFSJHCGDOHCO-NTCAYCPXSA-N
MW244.33 g/mol
LogP5.14
Rot. Bonds3

About [(E)-1-fluoro-2-phenylprop-1-enyl]sulfanylbenzene

[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanylbenzene (PubChem CID 135004220) has the molecular formula C15H13FS and a molecular weight of 244.33 g/mol. Its IUPAC name is [(E)-1-fluoro-2-phenylprop-1-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanylbenzene
PubChem CID135004220
Molecular FormulaC15H13FS
Molecular Weight244.33 g/mol
Exact Mass244.07
IUPAC Name[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanylbenzene
SMILESC/C(=C(/F)Sc1ccccc1)c1ccccc1
InChIInChI=1S/C15H13FS/c1-12(13-8-4-2-5-9-13)15(16)17-14-10-6-3-7-11-14/h2-11H,1H3/b15-12+
InChIKeyKIKFSJHCGDOHCO-NTCAYCPXSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.33
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(methylthio)-
CID 69334
Thioxanthene
CID 67495
Benzene, 1-methyl-3-(methylthio)-
CID 21005
Benzyl phenyl sulfide
CID 13255
Benzyl phenyl sulfoxide
CID 239581
4,4'-Bis-methylsulfanyl-biphenyl
CID 618859
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
Phenethyl phenyl sulfide
CID 139634
Phenyl 3-phenylpropyl sulphide
CID 141544
Benzene, 1-methyl-4-(phenylthio)-
CID 138011
Benzene, 1-methyl-2-(phenylthio)-
CID 139652

Frequently Asked Questions

What is the IUPAC name of [(E)-1-fluoro-2-phenylprop-1-enyl]sulfanylbenzene?
The IUPAC name of [(E)-1-fluoro-2-phenylprop-1-enyl]sulfanylbenzene (CID 135004220) is [(E)-1-fluoro-2-phenylprop-1-enyl]sulfanylbenzene.
What is the SMILES notation for [(E)-1-fluoro-2-phenylprop-1-enyl]sulfanylbenzene?
The canonical SMILES for [(E)-1-fluoro-2-phenylprop-1-enyl]sulfanylbenzene is C/C(=C(/F)Sc1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1-fluoro-2-phenylprop-1-enyl]sulfanylbenzene?
The InChIKey is KIKFSJHCGDOHCO-NTCAYCPXSA-N. The full InChI is InChI=1S/C15H13FS/c1-12(13-8-4-2-5-9-13)15(16)17-14-10-6-3-7-11-14/h2-11H,1H3/b15-12+.
What are the key properties of [(E)-1-fluoro-2-phenylprop-1-enyl]sulfanylbenzene?
[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanylbenzene has a molecular weight of 244.33 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-fluoro-2-phenylprop-1-enyl]sulfanylbenzene is sourced from PubChem (CID 135004220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).