[(E)-3-methylsulfanylprop-1-enyl]benzene

C10H12S — CID 5370626

IUPAC[(E)-3-methylsulfanylprop-1-enyl]benzene
SMILESCSC/C=C/c1ccccc1
InChIInChI=1S/C10H12S/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3/b8-5+
InChIKeyIGICVURCVDQWTP-VMPITWQZSA-N
MW164.27 g/mol
LogP3.06
Rot. Bonds3

About [(E)-3-methylsulfanylprop-1-enyl]benzene

[(E)-3-methylsulfanylprop-1-enyl]benzene (PubChem CID 5370626) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is [(E)-3-methylsulfanylprop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-methylsulfanylprop-1-enyl]benzene
PubChem CID5370626
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name[(E)-3-methylsulfanylprop-1-enyl]benzene
SMILESCSC/C=C/c1ccccc1
InChIInChI=1S/C10H12S/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3/b8-5+
InChIKeyIGICVURCVDQWTP-VMPITWQZSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 131234815
3-(disulfanyl)prop-1-enylbenzene
CID 173164677
3-benzylsulfanylprop-1-enylbenzene
CID 71388292
[(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene
CID 15189428
methylsulfanyl-[(E)-3-phenylprop-2-enyl]sulfanylmethanone
CID 11096252
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
2-[(E)-3-phenylprop-2-enyl]sulfanylacetic acid
CID 23172742
benzene;but-1-enylbenzene
CID 157481332
[(E)-3-but-3-enylsulfanylprop-1-enyl]benzene
CID 89232811
[(E)-4,4,4-tris(methylsulfanyl)but-1-enyl]benzene
CID 15833819
1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol
CID 75534520
ethyl 2-[(E)-3-phenylprop-2-enyl]sulfanylacetate
CID 12522446

Frequently Asked Questions

What is the IUPAC name of [(E)-3-methylsulfanylprop-1-enyl]benzene?
The IUPAC name of [(E)-3-methylsulfanylprop-1-enyl]benzene (CID 5370626) is [(E)-3-methylsulfanylprop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-methylsulfanylprop-1-enyl]benzene?
The canonical SMILES for [(E)-3-methylsulfanylprop-1-enyl]benzene is CSC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-methylsulfanylprop-1-enyl]benzene?
The InChIKey is IGICVURCVDQWTP-VMPITWQZSA-N. The full InChI is InChI=1S/C10H12S/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3/b8-5+.
What are the key properties of [(E)-3-methylsulfanylprop-1-enyl]benzene?
[(E)-3-methylsulfanylprop-1-enyl]benzene has a molecular weight of 164.27 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methylsulfanylprop-1-enyl]benzene is sourced from PubChem (CID 5370626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).