[(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene

C12H14S — CID 15189428

IUPAC[(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene
SMILESC=CCSC/C=C/c1ccccc1
InChIInChI=1S/C12H14S/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h2-9H,1,10-11H2/b9-6+
InChIKeyHCFTYFHNHZBFBK-RMKNXTFCSA-N
MW190.31 g/mol
LogP3.62
Rot. Bonds5

About [(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene

[(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene (PubChem CID 15189428) has the molecular formula C12H14S and a molecular weight of 190.31 g/mol. Its IUPAC name is [(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene
PubChem CID15189428
Molecular FormulaC12H14S
Molecular Weight190.31 g/mol
Exact Mass190.08
IUPAC Name[(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene
SMILESC=CCSC/C=C/c1ccccc1
InChIInChI=1S/C12H14S/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h2-9H,1,10-11H2/b9-6+
InChIKeyHCFTYFHNHZBFBK-RMKNXTFCSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-but-3-enylsulfanylprop-1-enyl]benzene
CID 89232811
[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 5370626
3-benzylsulfanylprop-1-enylbenzene
CID 71388292
barium(2+);hydride;phenol;3-prop-2-enylsulfanylprop-1-ene
CID 173284459
[(Z)-2-prop-2-enylsulfanylethenyl]benzene
CID 11041259
2-[(E)-3-phenylprop-2-enyl]sulfanylacetic acid
CID 23172742
3-(disulfanyl)prop-1-enylbenzene
CID 173164677
1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol
CID 75534520
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
(3-prop-2-enylsulfanylprop-1-enyldisulfanyl)methylbenzene
CID 56611271
4-(3-phenylprop-2-enylsulfanylmethyl)phenol
CID 67683497
1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 175517737

Frequently Asked Questions

What is the IUPAC name of [(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene?
The IUPAC name of [(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene (CID 15189428) is [(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene?
The canonical SMILES for [(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene is C=CCSC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene?
The InChIKey is HCFTYFHNHZBFBK-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H14S/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h2-9H,1,10-11H2/b9-6+.
What are the key properties of [(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene?
[(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene has a molecular weight of 190.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene is sourced from PubChem (CID 15189428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).