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

C24H34S2 — CID 57310656

IUPAC2-[(2,6-diethyl-3,4-dimethylphenyl)disulfanyl]-1,3-diethyl-4,5-dimethylbenzene
SMILESCCc1cc(C)c(C)c(CC)c1SSc1c(CC)cc(C)c(C)c1CC
InChIInChI=1S/C24H34S2/c1-9-19-13-15(5)17(7)21(11-3)23(19)25-26-24-20(10-2)14-16(6)18(8)22(24)12-4/h13-14H,9-12H2,1-8H3
InChIKeyLLAPJCAZDFWUJW-UHFFFAOYSA-N
MW386.67 g/mol
LogP7.97
Rot. Bonds7

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

2-[(2,6-diethyl-3,4-dimethylphenyl)disulfanyl]-1,3-diethyl-4,5-dimethylbenzene (PubChem CID 57310656) has the molecular formula C24H34S2 and a molecular weight of 386.67 g/mol. Its IUPAC name is 2-[(2,6-diethyl-3,4-dimethylphenyl)disulfanyl]-1,3-diethyl-4,5-dimethylbenzene.

Molecular Properties

Compound Name2-[(2,6-diethyl-3,4-dimethylphenyl)disulfanyl]-1,3-diethyl-4,5-dimethylbenzene
PubChem CID57310656
Molecular FormulaC24H34S2
Molecular Weight386.67 g/mol
Exact Mass386.21
IUPAC Name2-[(2,6-diethyl-3,4-dimethylphenyl)disulfanyl]-1,3-diethyl-4,5-dimethylbenzene
SMILESCCc1cc(C)c(C)c(CC)c1SSc1c(CC)cc(C)c(C)c1CC
InChIInChI=1S/C24H34S2/c1-9-19-13-15(5)17(7)21(11-3)23(19)25-26-24-20(10-2)14-16(6)18(8)22(24)12-4/h13-14H,9-12H2,1-8H3
InChIKeyLLAPJCAZDFWUJW-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.67
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2,6-diethyl-3,4-dimethylphenyl)disulfanyl]-1,3-diethyl-4,5-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-diethyl-3,4-dimethylphenyl)disulfanyl]-1,3-diethyl-4,5-dimethylbenzene?
The IUPAC name of 2-[(2,6-diethyl-3,4-dimethylphenyl)disulfanyl]-1,3-diethyl-4,5-dimethylbenzene (CID 57310656) is 2-[(2,6-diethyl-3,4-dimethylphenyl)disulfanyl]-1,3-diethyl-4,5-dimethylbenzene.
What is the SMILES notation for 2-[(2,6-diethyl-3,4-dimethylphenyl)disulfanyl]-1,3-diethyl-4,5-dimethylbenzene?
The canonical SMILES for 2-[(2,6-diethyl-3,4-dimethylphenyl)disulfanyl]-1,3-diethyl-4,5-dimethylbenzene is CCc1cc(C)c(C)c(CC)c1SSc1c(CC)cc(C)c(C)c1CC.
What is the InChIKey of 2-[(2,6-diethyl-3,4-dimethylphenyl)disulfanyl]-1,3-diethyl-4,5-dimethylbenzene?
The InChIKey is LLAPJCAZDFWUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34S2/c1-9-19-13-15(5)17(7)21(11-3)23(19)25-26-24-20(10-2)14-16(6)18(8)22(24)12-4/h13-14H,9-12H2,1-8H3.
What are the key properties of 2-[(2,6-diethyl-3,4-dimethylphenyl)disulfanyl]-1,3-diethyl-4,5-dimethylbenzene?
2-[(2,6-diethyl-3,4-dimethylphenyl)disulfanyl]-1,3-diethyl-4,5-dimethylbenzene has a molecular weight of 386.67 g/mol, XLogP of 7.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-diethyl-3,4-dimethylphenyl)disulfanyl]-1,3-diethyl-4,5-dimethylbenzene is sourced from PubChem (CID 57310656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).