ethane;[methylsulfanyl(diphenyl)methyl]benzene

C22H24S — CID 143921889

IUPACethane;[methylsulfanyl(diphenyl)methyl]benzene
SMILESCC.CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18S.C2H6/c1-21-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-2/h2-16H,1H3;1-2H3
InChIKeyJBTNODFYNDZVAA-UHFFFAOYSA-N
MW320.50 g/mol
LogP6.37
Rot. Bonds4

About ethane;[methylsulfanyl(diphenyl)methyl]benzene

ethane;[methylsulfanyl(diphenyl)methyl]benzene (PubChem CID 143921889) has the molecular formula C22H24S and a molecular weight of 320.50 g/mol. Its IUPAC name is ethane;[methylsulfanyl(diphenyl)methyl]benzene.

Molecular Properties

Compound Nameethane;[methylsulfanyl(diphenyl)methyl]benzene
PubChem CID143921889
Molecular FormulaC22H24S
Molecular Weight320.50 g/mol
Exact Mass320.16
IUPAC Nameethane;[methylsulfanyl(diphenyl)methyl]benzene
SMILESCC.CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18S.C2H6/c1-21-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-2/h2-16H,1H3;1-2H3
InChIKeyJBTNODFYNDZVAA-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
tert-butylbenzene;chloromethane;ethane
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benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
[diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene
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ethane;bis(trifluoromethylbenzene)
CID 142912000
tert-butylbenzene;N,N-dimethylmethanamine;ethane
CID 158234617
1-tritylsulfanylpropan-1-ol
CID 141363719
1-methyl-4-(4-tritylsulfanylphenyl)benzene
CID 129276067
tris(tert-butylbenzene);ethane;toluene
CID 158234120
tert-butylbenzene;molecular nitrogen
CID 146464751
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011

Frequently Asked Questions

What is the IUPAC name of ethane;[methylsulfanyl(diphenyl)methyl]benzene?
The IUPAC name of ethane;[methylsulfanyl(diphenyl)methyl]benzene (CID 143921889) is ethane;[methylsulfanyl(diphenyl)methyl]benzene.
What is the SMILES notation for ethane;[methylsulfanyl(diphenyl)methyl]benzene?
The canonical SMILES for ethane;[methylsulfanyl(diphenyl)methyl]benzene is CC.CSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethane;[methylsulfanyl(diphenyl)methyl]benzene?
The InChIKey is JBTNODFYNDZVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18S.C2H6/c1-21-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-2/h2-16H,1H3;1-2H3.
What are the key properties of ethane;[methylsulfanyl(diphenyl)methyl]benzene?
ethane;[methylsulfanyl(diphenyl)methyl]benzene has a molecular weight of 320.50 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[methylsulfanyl(diphenyl)methyl]benzene is sourced from PubChem (CID 143921889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).