[(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane

C27H24S — CID 167289774

IUPAC[(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane
SMILESCc1ccccc1/C=C/S(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24S/c1-23-13-11-12-14-24(23)21-22-28(25-15-5-2-6-16-25,26-17-7-3-8-18-26)27-19-9-4-10-20-27/h2-22H,1H3/b22-21+
InChIKeyGNNXYXCWNPIGSW-QURGRASLSA-N
MW380.56 g/mol
LogP7.95
Rot. Bonds5

About [(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane

[(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane (PubChem CID 167289774) has the molecular formula C27H24S and a molecular weight of 380.56 g/mol. Its IUPAC name is [(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane.

Molecular Properties

Compound Name[(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane
PubChem CID167289774
Molecular FormulaC27H24S
Molecular Weight380.56 g/mol
Exact Mass380.16
IUPAC Name[(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane
SMILESCc1ccccc1/C=C/S(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24S/c1-23-13-11-12-14-24(23)21-22-28(25-15-5-2-6-16-25,26-17-7-3-8-18-26)27-19-9-4-10-20-27/h2-22H,1H3/b22-21+
InChIKeyGNNXYXCWNPIGSW-QURGRASLSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.56
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene
CID 2729839
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CID 145388668
N-[(Z)-2-(2-methylphenyl)ethenyl]methanimine
CID 129049120
1-[(E)-2-(2-methylphenyl)ethenyl]pyridin-1-ium
CID 1236364
benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene
CID 144639766
2,2-difluoro-4-(2-methylphenyl)but-3-enoic acid
CID 175582352
(Z)-5-(2-methylphenyl)pent-4-enoic acid
CID 124649897
1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene
CID 54473536
dimethyl-[(Z)-2-(2-methylphenyl)ethenyl]-phenylsilane
CID 11528952
dimethyl-[(E)-2-(2-methylphenyl)ethenyl]-phenylsilane
CID 135061713
1-[2-(benzenesulfinyl)ethenyl]-2-methylbenzene
CID 819537
1-[(E)-2-(2-methylphenyl)ethenyl]cyclopropan-1-amine
CID 105435585

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane?
The IUPAC name of [(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane (CID 167289774) is [(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane.
What is the SMILES notation for [(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane?
The canonical SMILES for [(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane is Cc1ccccc1/C=C/S(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane?
The InChIKey is GNNXYXCWNPIGSW-QURGRASLSA-N. The full InChI is InChI=1S/C27H24S/c1-23-13-11-12-14-24(23)21-22-28(25-15-5-2-6-16-25,26-17-7-3-8-18-26)27-19-9-4-10-20-27/h2-22H,1H3/b22-21+.
What are the key properties of [(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane?
[(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane has a molecular weight of 380.56 g/mol, XLogP of 7.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane is sourced from PubChem (CID 167289774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).