2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

C28H32O3S2 — CID 11443023

IUPAC2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESCC(C)(C)S[S@@](=O)C(C)(C)C.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C20H14O2.C8H18OS2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-7(2,3)10-11(9)8(4,5)6/h1-12,21-22H;1-6H3/t;11-/m.1/s1
InChIKeyGMGGHIURVXVTJP-HVZQFPCNSA-N
MW480.70 g/mol
LogP8.05
Rot. Bonds2

About 2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 11443023) has the molecular formula C28H32O3S2 and a molecular weight of 480.70 g/mol. Its IUPAC name is 2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID11443023
Molecular FormulaC28H32O3S2
Molecular Weight480.70 g/mol
Exact Mass480.18
IUPAC Name2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESCC(C)(C)S[S@@](=O)C(C)(C)C.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C20H14O2.C8H18OS2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-7(2,3)10-11(9)8(4,5)6/h1-12,21-22H;1-6H3/t;11-/m.1/s1
InChIKeyGMGGHIURVXVTJP-HVZQFPCNSA-N
XLogP8.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.70
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;N-methyl-N-phosphanylmethanamine
CID 142347259
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11468369
tert-butyl(diphenyl)silane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 175202561
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 70289333
(S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide
CID 163788130
chromium;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;prop-1-ene
CID 10785807
1-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 101266046
1-[2-di(propan-2-yl)phosphorylnaphthalen-1-yl]naphthalen-2-ol
CID 102399893

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 11443023) is 2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is CC(C)(C)S[S@@](=O)C(C)(C)C.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.
What is the InChIKey of 2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is GMGGHIURVXVTJP-HVZQFPCNSA-N. The full InChI is InChI=1S/C20H14O2.C8H18OS2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-7(2,3)10-11(9)8(4,5)6/h1-12,21-22H;1-6H3/t;11-/m.1/s1.
What are the key properties of 2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 480.70 g/mol, XLogP of 8.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 11443023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).