1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene

C20H26S2 — CID 87179249

IUPAC1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene
SMILESCCC(C)c1ccccc1SSc1ccccc1C(C)CC
InChIInChI=1S/C20H26S2/c1-5-15(3)17-11-7-9-13-19(17)21-22-20-14-10-8-12-18(20)16(4)6-2/h7-16H,5-6H2,1-4H3
InChIKeyBQFYWJDUXYHNFJ-UHFFFAOYSA-N
MW330.56 g/mol
LogP7.51
Rot. Bonds7

About 1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene

1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene (PubChem CID 87179249) has the molecular formula C20H26S2 and a molecular weight of 330.56 g/mol. Its IUPAC name is 1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene.

Molecular Properties

Compound Name1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene
PubChem CID87179249
Molecular FormulaC20H26S2
Molecular Weight330.56 g/mol
Exact Mass330.15
IUPAC Name1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene
SMILESCCC(C)c1ccccc1SSc1ccccc1C(C)CC
InChIInChI=1S/C20H26S2/c1-5-15(3)17-11-7-9-13-19(17)21-22-20-14-10-8-12-18(20)16(4)6-2/h7-16H,5-6H2,1-4H3
InChIKeyBQFYWJDUXYHNFJ-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 57.51
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

1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
(2-butan-2-ylphenyl)-trimethylsilane
CID 140917307
2-butan-2-ylphenol;formaldehyde
CID 66765994
1-butan-2-yl-3-ethylsulfanyl-2-methylbenzene
CID 100940159
tris(2-butan-2-ylphenyl) phosphite
CID 18519322
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
1-butan-2-yl-2-(2-phenylethyl)benzene
CID 22235126
benzene;2,3-di(butan-2-yl)phenol
CID 67178643
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
1-butan-2-yl-2-butylbenzene;ethane;propane
CID 144927563
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
1-[(2R)-butan-2-yl]-3-fluoro-2-methylbenzene
CID 139403065

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene?
The IUPAC name of 1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene (CID 87179249) is 1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene.
What is the SMILES notation for 1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene?
The canonical SMILES for 1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene is CCC(C)c1ccccc1SSc1ccccc1C(C)CC.
What is the InChIKey of 1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene?
The InChIKey is BQFYWJDUXYHNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26S2/c1-5-15(3)17-11-7-9-13-19(17)21-22-20-14-10-8-12-18(20)16(4)6-2/h7-16H,5-6H2,1-4H3.
What are the key properties of 1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene?
1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene has a molecular weight of 330.56 g/mol, XLogP of 7.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene is sourced from PubChem (CID 87179249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).