1-(1,1-diphenylethylsulfanyl)-4-methylbenzene

C21H20S — CID 4070720

IUPAC1-(1,1-diphenylethylsulfanyl)-4-methylbenzene
SMILESCc1ccc(SC(C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20S/c1-17-13-15-20(16-14-17)22-21(2,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3
InChIKeyUQWPKLKZWSNKOE-UHFFFAOYSA-N
MW304.46 g/mol
LogP6.05
Rot. Bonds4

About 1-(1,1-diphenylethylsulfanyl)-4-methylbenzene

1-(1,1-diphenylethylsulfanyl)-4-methylbenzene (PubChem CID 4070720) has the molecular formula C21H20S and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-(1,1-diphenylethylsulfanyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1,1-diphenylethylsulfanyl)-4-methylbenzene
PubChem CID4070720
Molecular FormulaC21H20S
Molecular Weight304.46 g/mol
Exact Mass304.13
IUPAC Name1-(1,1-diphenylethylsulfanyl)-4-methylbenzene
SMILESCc1ccc(SC(C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20S/c1-17-13-15-20(16-14-17)22-21(2,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3
InChIKeyUQWPKLKZWSNKOE-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.46
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-(4-tritylsulfanylphenyl)benzene
CID 129276067
1-[diphenyl(phosphoroso)methyl]sulfanyl-4-methylbenzene
CID 23361448
tris(tert-butylbenzene);ethane;toluene
CID 158234120
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
benzene;bis(1,4-xylene)
CID 159472747
1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene
CID 159374079
1-methyl-4-(2-phenylbutan-2-yl)benzene
CID 173298051
2-(4-methylphenyl)-2,2-diphenylacetic acid
CID 19733760
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
CID 159818582
1-[1-(4-methylphenyl)ethylideneamino]-1-phenylethanamine
CID 175636969
tert-butylbenzene;1,3,5-trimethylbenzene
CID 173429948
1-methyl-4-(trifluoromethylsulfanyl)benzene;molecular fluorine;hydrofluoride
CID 167649765

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-diphenylethylsulfanyl)-4-methylbenzene?
The IUPAC name of 1-(1,1-diphenylethylsulfanyl)-4-methylbenzene (CID 4070720) is 1-(1,1-diphenylethylsulfanyl)-4-methylbenzene.
What is the SMILES notation for 1-(1,1-diphenylethylsulfanyl)-4-methylbenzene?
The canonical SMILES for 1-(1,1-diphenylethylsulfanyl)-4-methylbenzene is Cc1ccc(SC(C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(1,1-diphenylethylsulfanyl)-4-methylbenzene?
The InChIKey is UQWPKLKZWSNKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20S/c1-17-13-15-20(16-14-17)22-21(2,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3.
What are the key properties of 1-(1,1-diphenylethylsulfanyl)-4-methylbenzene?
1-(1,1-diphenylethylsulfanyl)-4-methylbenzene has a molecular weight of 304.46 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-diphenylethylsulfanyl)-4-methylbenzene is sourced from PubChem (CID 4070720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).