4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene

C20H26S — CID 156775921

IUPAC4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene
SMILESCc1ccc(Sc2ccc(C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C20H26S/c1-13(2)17-11-15(5)7-9-19(17)21-20-10-8-16(6)12-18(20)14(3)4/h7-14H,1-6H3
InChIKeyDLVPXRRTNIZMBA-UHFFFAOYSA-N
MW298.50 g/mol
LogP6.70
Rot. Bonds4

About 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene

4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene (PubChem CID 156775921) has the molecular formula C20H26S and a molecular weight of 298.50 g/mol. Its IUPAC name is 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene
PubChem CID156775921
Molecular FormulaC20H26S
Molecular Weight298.50 g/mol
Exact Mass298.18
IUPAC Name4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene
SMILESCc1ccc(Sc2ccc(C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C20H26S/c1-13(2)17-11-15(5)7-9-19(17)21-20-10-8-16(6)12-18(20)14(3)4/h7-14H,1-6H3
InChIKeyDLVPXRRTNIZMBA-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.50
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
CID 20697925
2,4-dimethyl-1-(4-methyl-2-propan-2-ylphenyl)benzene
CID 18730157
methyl-bis(4-methyl-2-propan-2-ylphenyl)bismuthane
CID 164733383
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene
CID 54063332
(4-methyl-2-propan-2-ylphenyl)hydrazine
CID 169152361
1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine
CID 82265056
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
potassium 5-methyl-2-propan-2-ylphenolate
CID 23693969
bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517
5-methyl-2-propan-2-ylphenol;zinc
CID 160855786
ethane;5-methyl-2-propan-2-ylaniline
CID 142850696
4-methyl-2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzene
CID 141236987

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene?
The IUPAC name of 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene (CID 156775921) is 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene.
What is the SMILES notation for 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene?
The canonical SMILES for 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene is Cc1ccc(Sc2ccc(C)cc2C(C)C)c(C(C)C)c1.
What is the InChIKey of 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene?
The InChIKey is DLVPXRRTNIZMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26S/c1-13(2)17-11-15(5)7-9-19(17)21-20-10-8-16(6)12-18(20)14(3)4/h7-14H,1-6H3.
What are the key properties of 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene?
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene has a molecular weight of 298.50 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene is sourced from PubChem (CID 156775921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).