[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene

C18H18S — CID 141305061

IUPAC[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene
SMILESC=C[C@@H](S[C@H](C=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18S/c1-3-17(15-11-7-5-8-12-15)19-18(4-2)16-13-9-6-10-14-16/h3-14,17-18H,1-2H2/t17-,18-/m1/s1
InChIKeyQVTZWKPEKWHAEW-QZTJIDSGSA-N
MW266.41 g/mol
LogP5.57
Rot. Bonds6

About [(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene

[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene (PubChem CID 141305061) has the molecular formula C18H18S and a molecular weight of 266.41 g/mol. Its IUPAC name is [(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene.

Molecular Properties

Compound Name[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene
PubChem CID141305061
Molecular FormulaC18H18S
Molecular Weight266.41 g/mol
Exact Mass266.11
IUPAC Name[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene
SMILESC=C[C@@H](S[C@H](C=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18S/c1-3-17(15-11-7-5-8-12-15)19-18(4-2)16-13-9-6-10-14-16/h3-14,17-18H,1-2H2/t17-,18-/m1/s1
InChIKeyQVTZWKPEKWHAEW-QZTJIDSGSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.41
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene
CID 87154627
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 [(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene?
The IUPAC name of [(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene (CID 141305061) is [(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene.
What is the SMILES notation for [(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene?
The canonical SMILES for [(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene is C=C[C@@H](S[C@H](C=C)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene?
The InChIKey is QVTZWKPEKWHAEW-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H18S/c1-3-17(15-11-7-5-8-12-15)19-18(4-2)16-13-9-6-10-14-16/h3-14,17-18H,1-2H2/t17-,18-/m1/s1.
What are the key properties of [(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene?
[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene has a molecular weight of 266.41 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene is sourced from PubChem (CID 141305061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).