1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene

C24H34S2 — CID 86094002

IUPAC1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene
SMILESCc1cc(C(C)(C)C)c(C)cc1SSc1cc(C)c(C(C)(C)C)cc1C
InChIInChI=1S/C24H34S2/c1-15-13-21(17(3)11-19(15)23(5,6)7)25-26-22-14-16(2)20(12-18(22)4)24(8,9)10/h11-14H,1-10H3
InChIKeyDTAZFOYOPODJJZ-UHFFFAOYSA-N
MW386.67 g/mol
LogP8.31
Rot. Bonds3

About 1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene

1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene (PubChem CID 86094002) has the molecular formula C24H34S2 and a molecular weight of 386.67 g/mol. Its IUPAC name is 1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene
PubChem CID86094002
Molecular FormulaC24H34S2
Molecular Weight386.67 g/mol
Exact Mass386.21
IUPAC Name1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene
SMILESCc1cc(C(C)(C)C)c(C)cc1SSc1cc(C)c(C(C)(C)C)cc1C
InChIInChI=1S/C24H34S2/c1-15-13-21(17(3)11-19(15)23(5,6)7)25-26-22-14-16(2)20(12-18(22)4)24(8,9)10/h11-14H,1-10H3
InChIKeyDTAZFOYOPODJJZ-UHFFFAOYSA-N
XLogP8.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.67
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)disulfanyl]-5-methylphenol
CID 15919604
1-tert-butyl-4-fluoro-2,5-dimethylbenzene
CID 58173964
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
2,4-ditert-butyl-5-methylphenol
CID 10346
4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol
CID 59518347
3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene
CID 166005536
2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene
CID 173052655
4-tert-butyl-2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)disulfanyl]-6-methylphenol
CID 12712019
5-tert-butyl-6-methyl-2,3-dihydro-1H-indene
CID 140602507
2-tert-butyl-4,5-dimethylbenzenethiol
CID 69417288
1-bromo-2-tert-butyl-4,5-dimethylbenzene
CID 23588940

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene?
The IUPAC name of 1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene (CID 86094002) is 1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene.
What is the SMILES notation for 1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene?
The canonical SMILES for 1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene is Cc1cc(C(C)(C)C)c(C)cc1SSc1cc(C)c(C(C)(C)C)cc1C.
What is the InChIKey of 1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene?
The InChIKey is DTAZFOYOPODJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34S2/c1-15-13-21(17(3)11-19(15)23(5,6)7)25-26-22-14-16(2)20(12-18(22)4)24(8,9)10/h11-14H,1-10H3.
What are the key properties of 1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene?
1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene has a molecular weight of 386.67 g/mol, XLogP of 8.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene is sourced from PubChem (CID 86094002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).