1-methylsulfanyl-4-[(E,2S)-5-phenylpent-4-en-2-yl]benzene

C18H20S — CID 135060945

IUPAC1-methylsulfanyl-4-[(E,2S)-5-phenylpent-4-en-2-yl]benzene
SMILESCSc1ccc([C@@H](C)C/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H20S/c1-15(17-11-13-18(19-2)14-12-17)7-6-10-16-8-4-3-5-9-16/h3-6,8-15H,7H2,1-2H3/b10-6+/t15-/m0/s1
InChIKeyKTWDIZIPPXBUCD-WGPYJDKQSA-N
MW268.43 g/mol
LogP5.62
Rot. Bonds5

About 1-methylsulfanyl-4-[(E,2S)-5-phenylpent-4-en-2-yl]benzene

1-methylsulfanyl-4-[(E,2S)-5-phenylpent-4-en-2-yl]benzene (PubChem CID 135060945) has the molecular formula C18H20S and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-methylsulfanyl-4-[(E,2S)-5-phenylpent-4-en-2-yl]benzene.

Molecular Properties

Compound Name1-methylsulfanyl-4-[(E,2S)-5-phenylpent-4-en-2-yl]benzene
PubChem CID135060945
Molecular FormulaC18H20S
Molecular Weight268.43 g/mol
Exact Mass268.13
IUPAC Name1-methylsulfanyl-4-[(E,2S)-5-phenylpent-4-en-2-yl]benzene
SMILESCSc1ccc([C@@H](C)C/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H20S/c1-15(17-11-13-18(19-2)14-12-17)7-6-10-16-8-4-3-5-9-16/h3-6,8-15H,7H2,1-2H3/b10-6+/t15-/m0/s1
InChIKeyKTWDIZIPPXBUCD-WGPYJDKQSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.43
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E,2R)-5-phenylpent-4-en-2-yl]benzene
CID 102293607
4-chloropent-1-enylbenzene
CID 66808272
(E)-5-phenylpent-4-en-2-amine
CID 55254237
[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 5370626
1-butan-2-yl-4-methylsulfanylbenzene;ethane
CID 143774583
1-(difluoromethylsulfanyl)-4-[(E)-6-methylhept-4-en-2-yl]benzene
CID 126626300
1-methylsulfanyl-4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 12652959
[(E)-1-chloro-4-phenylbut-3-enyl]benzene
CID 13252853
3-(4-methylsulfanylphenyl)butane-1-thiol
CID 83935928
N-methyl-1,4-diphenylbut-3-en-1-amine
CID 54080999
4,5-dimethylhepta-1,5-dienylbenzene
CID 123392853
(1E,5E)-1-phenylhepta-1,5-dien-4-ol
CID 100975516

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-4-[(E,2S)-5-phenylpent-4-en-2-yl]benzene?
The IUPAC name of 1-methylsulfanyl-4-[(E,2S)-5-phenylpent-4-en-2-yl]benzene (CID 135060945) is 1-methylsulfanyl-4-[(E,2S)-5-phenylpent-4-en-2-yl]benzene.
What is the SMILES notation for 1-methylsulfanyl-4-[(E,2S)-5-phenylpent-4-en-2-yl]benzene?
The canonical SMILES for 1-methylsulfanyl-4-[(E,2S)-5-phenylpent-4-en-2-yl]benzene is CSc1ccc([C@@H](C)C/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-methylsulfanyl-4-[(E,2S)-5-phenylpent-4-en-2-yl]benzene?
The InChIKey is KTWDIZIPPXBUCD-WGPYJDKQSA-N. The full InChI is InChI=1S/C18H20S/c1-15(17-11-13-18(19-2)14-12-17)7-6-10-16-8-4-3-5-9-16/h3-6,8-15H,7H2,1-2H3/b10-6+/t15-/m0/s1.
What are the key properties of 1-methylsulfanyl-4-[(E,2S)-5-phenylpent-4-en-2-yl]benzene?
1-methylsulfanyl-4-[(E,2S)-5-phenylpent-4-en-2-yl]benzene has a molecular weight of 268.43 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-4-[(E,2S)-5-phenylpent-4-en-2-yl]benzene is sourced from PubChem (CID 135060945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).