1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene

C13H16S — CID 123372265

IUPAC1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene
SMILESC=C(C)SC(=CC)c1ccc(C)cc1
InChIInChI=1S/C13H16S/c1-5-13(14-10(2)3)12-8-6-11(4)7-9-12/h5-9H,2H2,1,3-4H3
InChIKeyPVWGQGIUTSDDKP-UHFFFAOYSA-N
MW204.34 g/mol
LogP4.62
Rot. Bonds3

About 1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene

1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene (PubChem CID 123372265) has the molecular formula C13H16S and a molecular weight of 204.34 g/mol. Its IUPAC name is 1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene
PubChem CID123372265
Molecular FormulaC13H16S
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene
SMILESC=C(C)SC(=CC)c1ccc(C)cc1
InChIInChI=1S/C13H16S/c1-5-13(14-10(2)3)12-8-6-11(4)7-9-12/h5-9H,2H2,1,3-4H3
InChIKeyPVWGQGIUTSDDKP-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene?
The IUPAC name of 1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene (CID 123372265) is 1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene.
What is the SMILES notation for 1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene?
The canonical SMILES for 1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene is C=C(C)SC(=CC)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene?
The InChIKey is PVWGQGIUTSDDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16S/c1-5-13(14-10(2)3)12-8-6-11(4)7-9-12/h5-9H,2H2,1,3-4H3.
What are the key properties of 1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene?
1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene has a molecular weight of 204.34 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene is sourced from PubChem (CID 123372265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).