[4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane

C22H32S — CID 170292816

IUPAC[4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane
SMILESCC(C)c1cc(-c2ccc(CS(C)(C)C)cc2)cc(C(C)C)c1
InChIInChI=1S/C22H32S/c1-16(2)20-12-21(17(3)4)14-22(13-20)19-10-8-18(9-11-19)15-23(5,6)7/h8-14,16-17H,15H2,1-7H3
InChIKeyFUZRPSQFDXNMHB-UHFFFAOYSA-N
MW328.57 g/mol
LogP6.79
Rot. Bonds5

About [4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane

[4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane (PubChem CID 170292816) has the molecular formula C22H32S and a molecular weight of 328.57 g/mol. Its IUPAC name is [4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name[4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane
PubChem CID170292816
Molecular FormulaC22H32S
Molecular Weight328.57 g/mol
Exact Mass328.22
IUPAC Name[4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane
SMILESCC(C)c1cc(-c2ccc(CS(C)(C)C)cc2)cc(C(C)C)c1
InChIInChI=1S/C22H32S/c1-16(2)20-12-21(17(3)4)14-22(13-20)19-10-8-18(9-11-19)15-23(5,6)7/h8-14,16-17H,15H2,1-7H3
InChIKeyFUZRPSQFDXNMHB-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Benzene, 1,2-dimethyl-4-(1-phenylethyl)-
CID 22570
1,1-Bis(3,4-dimethylphenyl)ethane
CID 74448
1-Phenyl-1-(2,4-xylyl)ethane
CID 93022
Benzene, (1-methylpropyl)(phenylmethyl)-
CID 522027
1-(trans-4-Pentylcyclohexyl)-4-propylbenzene
CID 576134
1,1'-Biphenyl, tris(1-methylethyl)-
CID 3034466
Bis(p-methylbenzyl) trisulfide
CID 571217
1,1-Di-p-tolylethane
CID 68260
1-Phenyl-1-(2,5-xylyl)ethane
CID 110796
4''-(1,1-Dimethyl-heptyl)-3,5-dimethyl-biphenyl
CID 44300692
Bis[(3-methylphenyl)methyl]trisulfane
CID 11558587
4,4'-Diisopropylbiphenyl
CID 519615

Frequently Asked Questions

What is the IUPAC name of [4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane?
The IUPAC name of [4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane (CID 170292816) is [4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane.
What is the SMILES notation for [4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane?
The canonical SMILES for [4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane is CC(C)c1cc(-c2ccc(CS(C)(C)C)cc2)cc(C(C)C)c1.
What is the InChIKey of [4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane?
The InChIKey is FUZRPSQFDXNMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32S/c1-16(2)20-12-21(17(3)4)14-22(13-20)19-10-8-18(9-11-19)15-23(5,6)7/h8-14,16-17H,15H2,1-7H3.
What are the key properties of [4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane?
[4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane has a molecular weight of 328.57 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-di(propan-2-yl)phenyl]phenyl]methyl-trimethyl-λ4-sulfane is sourced from PubChem (CID 170292816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).