1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene

C16H15FS — CID 101481706

IUPAC1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene
SMILESC/C(=C(/F)Sc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C16H15FS/c1-12-8-10-15(11-9-12)18-16(17)13(2)14-6-4-3-5-7-14/h3-11H,1-2H3/b16-13+
InChIKeyJMENDWDRQLJOMA-DTQAZKPQSA-N
MW258.36 g/mol
LogP5.45
Rot. Bonds3

About 1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene

1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene (PubChem CID 101481706) has the molecular formula C16H15FS and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene
PubChem CID101481706
Molecular FormulaC16H15FS
Molecular Weight258.36 g/mol
Exact Mass258.09
IUPAC Name1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene
SMILESC/C(=C(/F)Sc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C16H15FS/c1-12-8-10-15(11-9-12)18-16(17)13(2)14-6-4-3-5-7-14/h3-11H,1-2H3/b16-13+
InChIKeyJMENDWDRQLJOMA-DTQAZKPQSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

SC-57666
CID 443373
p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1-methyl-4-(methylthio)-
CID 69334
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
Disulfide, bis(4-methylphenyl)
CID 66027
Benzyl phenyl sulfide
CID 13255
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

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene?
The IUPAC name of 1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene (CID 101481706) is 1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene.
What is the SMILES notation for 1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene?
The canonical SMILES for 1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene is C/C(=C(/F)Sc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene?
The InChIKey is JMENDWDRQLJOMA-DTQAZKPQSA-N. The full InChI is InChI=1S/C16H15FS/c1-12-8-10-15(11-9-12)18-16(17)13(2)14-6-4-3-5-7-14/h3-11H,1-2H3/b16-13+.
What are the key properties of 1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene?
1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene has a molecular weight of 258.36 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-fluoro-2-phenylprop-1-enyl]sulfanyl-4-methylbenzene is sourced from PubChem (CID 101481706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).