1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene

C18H18S2 — CID 87154627

IUPAC1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene
SMILESC=CC(SSC(C=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18S2/c1-3-17(15-11-7-5-8-12-15)19-20-18(4-2)16-13-9-6-10-14-16/h3-14,17-18H,1-2H2
InChIKeyPVWRJGFWGPXNQO-UHFFFAOYSA-N
MW298.48 g/mol
LogP6.22
Rot. Bonds7

About 1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene

1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene (PubChem CID 87154627) has the molecular formula C18H18S2 and a molecular weight of 298.48 g/mol. Its IUPAC name is 1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene.

Molecular Properties

Compound Name1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene
PubChem CID87154627
Molecular FormulaC18H18S2
Molecular Weight298.48 g/mol
Exact Mass298.08
IUPAC Name1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene
SMILESC=CC(SSC(C=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18S2/c1-3-17(15-11-7-5-8-12-15)19-20-18(4-2)16-13-9-6-10-14-16/h3-14,17-18H,1-2H2
InChIKeyPVWRJGFWGPXNQO-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.48
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene
CID 141305061
benzene;1-phenylprop-2-en-1-ol
CID 174884403
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
penta-1,4-dien-3-ylbenzene
CID 15879286
ethylsulfanyl-[(1S)-1-phenylprop-2-enyl]sulfanylmethanone
CID 102006743
1,1-diphenylbut-3-en-2-ol
CID 88826241
2-ethenyl-1,3-diphenylpropane-1,3-diol
CID 11821143
azanium 1-phenylprop-2-enylsulfanyl sulfate
CID 18468866
1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene
CID 67821654
[(1R)-1-chloroprop-2-enyl]benzene
CID 94848346
CID 147982953
CID 147982953
1-phenylprop-2-enyloxidanium
CID 135026196

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene?
The IUPAC name of 1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene (CID 87154627) is 1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene.
What is the SMILES notation for 1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene?
The canonical SMILES for 1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene is C=CC(SSC(C=C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene?
The InChIKey is PVWRJGFWGPXNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18S2/c1-3-17(15-11-7-5-8-12-15)19-20-18(4-2)16-13-9-6-10-14-16/h3-14,17-18H,1-2H2.
What are the key properties of 1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene?
1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene has a molecular weight of 298.48 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene is sourced from PubChem (CID 87154627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).