bis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride

C56H84Cl2Cu2O4S2 — CID 10898436

IUPACbis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride
SMILESCC(C)(C)c1cc(Sc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(Sc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.[Cl-].[Cl-].[Cu+].[Cu+]
InChIInChI=1S/2C28H42O2S.2ClH.2Cu/c2*1-25(2,3)17-13-19(27(7,8)9)23(29)21(15-17)31-22-16-18(26(4,5)6)14-20(24(22)30)28(10,11)12;;;;/h2*13-16,29-30H,1-12H3;2*1H;;/q;;;;2*+1/p-2
InChIKeyZDISVSIWYFRQMW-UHFFFAOYSA-L
MW1083.42 g/mol
LogP10.88
Rot. Bonds4

About bis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride

bis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride (PubChem CID 10898436) has the molecular formula C56H84Cl2Cu2O4S2 and a molecular weight of 1083.42 g/mol. Its IUPAC name is bis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride.

Molecular Properties

Compound Namebis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride
PubChem CID10898436
Molecular FormulaC56H84Cl2Cu2O4S2
Molecular Weight1083.42 g/mol
Exact Mass1080.38
IUPAC Namebis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride
SMILESCC(C)(C)c1cc(Sc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(Sc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.[Cl-].[Cl-].[Cu+].[Cu+]
InChIInChI=1S/2C28H42O2S.2ClH.2Cu/c2*1-25(2,3)17-13-19(27(7,8)9)23(29)21(15-17)31-22-16-18(26(4,5)6)14-20(24(22)30)28(10,11)12;;;;/h2*13-16,29-30H,1-12H3;2*1H;;/q;;;;2*+1/p-2
InChIKeyZDISVSIWYFRQMW-UHFFFAOYSA-L
XLogP10.88
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.42
LogP ≤ 510.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-ditert-butyl-6-phenylsulfanylphenol
CID 12058921
2,4-ditert-butyl-6-cyclopenta-1,3-dien-1-ylsulfanylphenol
CID 102368359
2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol;sulfane
CID 174925209
2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol;titanium;dihydrochloride
CID 173203929
2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylethylsulfanyl]phenol;dichlorotitanium
CID 11192864
2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol;dichlorotitanium
CID 85407072
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol
CID 59187830
2-[2-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol
CID 87580532
CID 135046337
CID 135046337
2,4-ditert-butyl-6-[2-[2-(3,5-ditert-butyl-2-hydroxyanilino)phenyl]sulfanylanilino]phenol
CID 102359329
bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine
CID 174939437
2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
CID 91693696

Frequently Asked Questions

What is the IUPAC name of bis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride?
The IUPAC name of bis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride (CID 10898436) is bis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride.
What is the SMILES notation for bis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride?
The canonical SMILES for bis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride is CC(C)(C)c1cc(Sc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(Sc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.[Cl-].[Cl-].[Cu+].[Cu+].
What is the InChIKey of bis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride?
The InChIKey is ZDISVSIWYFRQMW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C28H42O2S.2ClH.2Cu/c2*1-25(2,3)17-13-19(27(7,8)9)23(29)21(15-17)31-22-16-18(26(4,5)6)14-20(24(22)30)28(10,11)12;;;;/h2*13-16,29-30H,1-12H3;2*1H;;/q;;;;2*+1/p-2.
What are the key properties of bis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride?
bis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride has a molecular weight of 1083.42 g/mol, XLogP of 10.88, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride is sourced from PubChem (CID 10898436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).