1,3-dimethyl-2-[(E)-2-methylsulfanylethenyl]benzene

C11H14S — CID 146239121

IUPAC1,3-dimethyl-2-[(E)-2-methylsulfanylethenyl]benzene
SMILESCS/C=C/c1c(C)cccc1C
InChIInChI=1S/C11H14S/c1-9-5-4-6-10(2)11(9)7-8-12-3/h4-8H,1-3H3/b8-7+
InChIKeyZURRRNVQBXWCEV-BQYQJAHWSA-N
MW178.30 g/mol
LogP3.64
Rot. Bonds2

About 1,3-dimethyl-2-[(E)-2-methylsulfanylethenyl]benzene

1,3-dimethyl-2-[(E)-2-methylsulfanylethenyl]benzene (PubChem CID 146239121) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 1,3-dimethyl-2-[(E)-2-methylsulfanylethenyl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-2-[(E)-2-methylsulfanylethenyl]benzene
PubChem CID146239121
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name1,3-dimethyl-2-[(E)-2-methylsulfanylethenyl]benzene
SMILESCS/C=C/c1c(C)cccc1C
InChIInChI=1S/C11H14S/c1-9-5-4-6-10(2)11(9)7-8-12-3/h4-8H,1-3H3/b8-7+
InChIKeyZURRRNVQBXWCEV-BQYQJAHWSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-[(E)-2-methylsulfanylethenyl]benzene?
The IUPAC name of 1,3-dimethyl-2-[(E)-2-methylsulfanylethenyl]benzene (CID 146239121) is 1,3-dimethyl-2-[(E)-2-methylsulfanylethenyl]benzene.
What is the SMILES notation for 1,3-dimethyl-2-[(E)-2-methylsulfanylethenyl]benzene?
The canonical SMILES for 1,3-dimethyl-2-[(E)-2-methylsulfanylethenyl]benzene is CS/C=C/c1c(C)cccc1C.
What is the InChIKey of 1,3-dimethyl-2-[(E)-2-methylsulfanylethenyl]benzene?
The InChIKey is ZURRRNVQBXWCEV-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H14S/c1-9-5-4-6-10(2)11(9)7-8-12-3/h4-8H,1-3H3/b8-7+.
What are the key properties of 1,3-dimethyl-2-[(E)-2-methylsulfanylethenyl]benzene?
1,3-dimethyl-2-[(E)-2-methylsulfanylethenyl]benzene has a molecular weight of 178.30 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-[(E)-2-methylsulfanylethenyl]benzene is sourced from PubChem (CID 146239121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).