5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene

C24H34S2 — CID 53340979

IUPAC5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene
SMILESCc1cc(C(C)(C)C)cc(C)c1SSc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C24H34S2/c1-15-11-19(23(5,6)7)12-16(2)21(15)25-26-22-17(3)13-20(14-18(22)4)24(8,9)10/h11-14H,1-10H3
InChIKeyMFNGAMRVCCZXCD-UHFFFAOYSA-N
MW386.67 g/mol
LogP8.31
Rot. Bonds3

About 5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene

5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene (PubChem CID 53340979) has the molecular formula C24H34S2 and a molecular weight of 386.67 g/mol. Its IUPAC name is 5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene
PubChem CID53340979
Molecular FormulaC24H34S2
Molecular Weight386.67 g/mol
Exact Mass386.21
IUPAC Name5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene
SMILESCc1cc(C(C)(C)C)cc(C)c1SSc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C24H34S2/c1-15-11-19(23(5,6)7)12-16(2)21(15)25-26-22-17(3)13-20(14-18(22)4)24(8,9)10/h11-14H,1-10H3
InChIKeyMFNGAMRVCCZXCD-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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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene?
The IUPAC name of 5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene (CID 53340979) is 5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene.
What is the SMILES notation for 5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene?
The canonical SMILES for 5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene is Cc1cc(C(C)(C)C)cc(C)c1SSc1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene?
The InChIKey is MFNGAMRVCCZXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34S2/c1-15-11-19(23(5,6)7)12-16(2)21(15)25-26-22-17(3)13-20(14-18(22)4)24(8,9)10/h11-14H,1-10H3.
What are the key properties of 5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene?
5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)disulfanyl]-1,3-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 5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene is sourced from PubChem (CID 53340979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).