1-methyl-2-[[2-(1-methylsulfanylethenyl)phenyl]methyl]benzene

C17H18S — CID 143666794

IUPAC1-methyl-2-[[2-(1-methylsulfanylethenyl)phenyl]methyl]benzene
SMILESC=C(SC)c1ccccc1Cc1ccccc1C
InChIInChI=1S/C17H18S/c1-13-8-4-5-9-15(13)12-16-10-6-7-11-17(16)14(2)18-3/h4-11H,2,12H2,1,3H3
InChIKeyLYQNDSHTOSWWOB-UHFFFAOYSA-N
MW254.40 g/mol
LogP4.92
Rot. Bonds4

About 1-methyl-2-[[2-(1-methylsulfanylethenyl)phenyl]methyl]benzene

1-methyl-2-[[2-(1-methylsulfanylethenyl)phenyl]methyl]benzene (PubChem CID 143666794) has the molecular formula C17H18S and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-methyl-2-[[2-(1-methylsulfanylethenyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[[2-(1-methylsulfanylethenyl)phenyl]methyl]benzene
PubChem CID143666794
Molecular FormulaC17H18S
Molecular Weight254.40 g/mol
Exact Mass254.11
IUPAC Name1-methyl-2-[[2-(1-methylsulfanylethenyl)phenyl]methyl]benzene
SMILESC=C(SC)c1ccccc1Cc1ccccc1C
InChIInChI=1S/C17H18S/c1-13-8-4-5-9-15(13)12-16-10-6-7-11-17(16)14(2)18-3/h4-11H,2,12H2,1,3H3
InChIKeyLYQNDSHTOSWWOB-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[2-(1-methylsulfanylethenyl)phenyl]methyl]benzene?
The IUPAC name of 1-methyl-2-[[2-(1-methylsulfanylethenyl)phenyl]methyl]benzene (CID 143666794) is 1-methyl-2-[[2-(1-methylsulfanylethenyl)phenyl]methyl]benzene.
What is the SMILES notation for 1-methyl-2-[[2-(1-methylsulfanylethenyl)phenyl]methyl]benzene?
The canonical SMILES for 1-methyl-2-[[2-(1-methylsulfanylethenyl)phenyl]methyl]benzene is C=C(SC)c1ccccc1Cc1ccccc1C.
What is the InChIKey of 1-methyl-2-[[2-(1-methylsulfanylethenyl)phenyl]methyl]benzene?
The InChIKey is LYQNDSHTOSWWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18S/c1-13-8-4-5-9-15(13)12-16-10-6-7-11-17(16)14(2)18-3/h4-11H,2,12H2,1,3H3.
What are the key properties of 1-methyl-2-[[2-(1-methylsulfanylethenyl)phenyl]methyl]benzene?
1-methyl-2-[[2-(1-methylsulfanylethenyl)phenyl]methyl]benzene has a molecular weight of 254.40 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[2-(1-methylsulfanylethenyl)phenyl]methyl]benzene is sourced from PubChem (CID 143666794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).