1-ethenyl-3-[(2-methylphenyl)sulfanylmethyl]benzene

C16H16S — CID 139773228

IUPAC1-ethenyl-3-[(2-methylphenyl)sulfanylmethyl]benzene
SMILESC=Cc1cccc(CSc2ccccc2C)c1
InChIInChI=1S/C16H16S/c1-3-14-8-6-9-15(11-14)12-17-16-10-5-4-7-13(16)2/h3-11H,1,12H2,2H3
InChIKeyWHSAMQPCZSBXRS-UHFFFAOYSA-N
MW240.37 g/mol
LogP4.93
Rot. Bonds4

About 1-ethenyl-3-[(2-methylphenyl)sulfanylmethyl]benzene

1-ethenyl-3-[(2-methylphenyl)sulfanylmethyl]benzene (PubChem CID 139773228) has the molecular formula C16H16S and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-ethenyl-3-[(2-methylphenyl)sulfanylmethyl]benzene.

Molecular Properties

Compound Name1-ethenyl-3-[(2-methylphenyl)sulfanylmethyl]benzene
PubChem CID139773228
Molecular FormulaC16H16S
Molecular Weight240.37 g/mol
Exact Mass240.10
IUPAC Name1-ethenyl-3-[(2-methylphenyl)sulfanylmethyl]benzene
SMILESC=Cc1cccc(CSc2ccccc2C)c1
InChIInChI=1S/C16H16S/c1-3-14-8-6-9-15(11-14)12-17-16-10-5-4-7-13(16)2/h3-11H,1,12H2,2H3
InChIKeyWHSAMQPCZSBXRS-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-[(2-methylphenyl)sulfanylmethyl]benzene?
The IUPAC name of 1-ethenyl-3-[(2-methylphenyl)sulfanylmethyl]benzene (CID 139773228) is 1-ethenyl-3-[(2-methylphenyl)sulfanylmethyl]benzene.
What is the SMILES notation for 1-ethenyl-3-[(2-methylphenyl)sulfanylmethyl]benzene?
The canonical SMILES for 1-ethenyl-3-[(2-methylphenyl)sulfanylmethyl]benzene is C=Cc1cccc(CSc2ccccc2C)c1.
What is the InChIKey of 1-ethenyl-3-[(2-methylphenyl)sulfanylmethyl]benzene?
The InChIKey is WHSAMQPCZSBXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S/c1-3-14-8-6-9-15(11-14)12-17-16-10-5-4-7-13(16)2/h3-11H,1,12H2,2H3.
What are the key properties of 1-ethenyl-3-[(2-methylphenyl)sulfanylmethyl]benzene?
1-ethenyl-3-[(2-methylphenyl)sulfanylmethyl]benzene has a molecular weight of 240.37 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[(2-methylphenyl)sulfanylmethyl]benzene is sourced from PubChem (CID 139773228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).