[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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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).