1-methylsulfanyl-4-[(E)-2-phenylethenyl]benzene

C15H14S — CID 18969765

IUPAC1-methylsulfanyl-4-[(E)-2-phenylethenyl]benzene
SMILESCSc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H14S/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7+
InChIKeyBSGSSBWVUCICNI-BQYQJAHWSA-N
MW226.34 g/mol
LogP4.58
Rot. Bonds3

About 1-methylsulfanyl-4-[(E)-2-phenylethenyl]benzene

1-methylsulfanyl-4-[(E)-2-phenylethenyl]benzene (PubChem CID 18969765) has the molecular formula C15H14S and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-methylsulfanyl-4-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-methylsulfanyl-4-[(E)-2-phenylethenyl]benzene
PubChem CID18969765
Molecular FormulaC15H14S
Molecular Weight226.34 g/mol
Exact Mass226.08
IUPAC Name1-methylsulfanyl-4-[(E)-2-phenylethenyl]benzene
SMILESCSc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H14S/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7+
InChIKeyBSGSSBWVUCICNI-BQYQJAHWSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-4-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1-methylsulfanyl-4-[(E)-2-phenylethenyl]benzene (CID 18969765) is 1-methylsulfanyl-4-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1-methylsulfanyl-4-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1-methylsulfanyl-4-[(E)-2-phenylethenyl]benzene is CSc1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-methylsulfanyl-4-[(E)-2-phenylethenyl]benzene?
The InChIKey is BSGSSBWVUCICNI-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H14S/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7+.
What are the key properties of 1-methylsulfanyl-4-[(E)-2-phenylethenyl]benzene?
1-methylsulfanyl-4-[(E)-2-phenylethenyl]benzene has a molecular weight of 226.34 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-4-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 18969765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).