1-methylsulfanyl-4-[(E)-3-phenylprop-2-enyl]benzene

C16H16S — CID 11299454

IUPAC1-methylsulfanyl-4-[(E)-3-phenylprop-2-enyl]benzene
SMILESCSc1ccc(C/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H16S/c1-17-16-12-10-15(11-13-16)9-5-8-14-6-3-2-4-7-14/h2-8,10-13H,9H2,1H3/b8-5+
InChIKeyTVLMWDBESBYGBJ-VMPITWQZSA-N
MW240.37 g/mol
LogP4.66
Rot. Bonds4

About 1-methylsulfanyl-4-[(E)-3-phenylprop-2-enyl]benzene

1-methylsulfanyl-4-[(E)-3-phenylprop-2-enyl]benzene (PubChem CID 11299454) has the molecular formula C16H16S and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-methylsulfanyl-4-[(E)-3-phenylprop-2-enyl]benzene.

Molecular Properties

Compound Name1-methylsulfanyl-4-[(E)-3-phenylprop-2-enyl]benzene
PubChem CID11299454
Molecular FormulaC16H16S
Molecular Weight240.37 g/mol
Exact Mass240.10
IUPAC Name1-methylsulfanyl-4-[(E)-3-phenylprop-2-enyl]benzene
SMILESCSc1ccc(C/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H16S/c1-17-16-12-10-15(11-13-16)9-5-8-14-6-3-2-4-7-14/h2-8,10-13H,9H2,1H3/b8-5+
InChIKeyTVLMWDBESBYGBJ-VMPITWQZSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-4-[(E)-3-phenylprop-2-enyl]benzene?
The IUPAC name of 1-methylsulfanyl-4-[(E)-3-phenylprop-2-enyl]benzene (CID 11299454) is 1-methylsulfanyl-4-[(E)-3-phenylprop-2-enyl]benzene.
What is the SMILES notation for 1-methylsulfanyl-4-[(E)-3-phenylprop-2-enyl]benzene?
The canonical SMILES for 1-methylsulfanyl-4-[(E)-3-phenylprop-2-enyl]benzene is CSc1ccc(C/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-methylsulfanyl-4-[(E)-3-phenylprop-2-enyl]benzene?
The InChIKey is TVLMWDBESBYGBJ-VMPITWQZSA-N. The full InChI is InChI=1S/C16H16S/c1-17-16-12-10-15(11-13-16)9-5-8-14-6-3-2-4-7-14/h2-8,10-13H,9H2,1H3/b8-5+.
What are the key properties of 1-methylsulfanyl-4-[(E)-3-phenylprop-2-enyl]benzene?
1-methylsulfanyl-4-[(E)-3-phenylprop-2-enyl]benzene has a molecular weight of 240.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-4-[(E)-3-phenylprop-2-enyl]benzene is sourced from PubChem (CID 11299454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).