1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol

C20H14O2S2 — CID 521106

IUPAC1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12
InChIInChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
InChIKeyRFAXLXKIAKIUDT-UHFFFAOYSA-N
MW350.46 g/mol
LogP6.20
Rot. Bonds3

About 1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol

1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol (PubChem CID 521106) has the molecular formula C20H14O2S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol
PubChem CID521106
Molecular FormulaC20H14O2S2
Molecular Weight350.46 g/mol
Exact Mass350.04
IUPAC Name1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12
InChIInChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
InChIKeyRFAXLXKIAKIUDT-UHFFFAOYSA-N
XLogP6.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol (CID 521106) is 1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol is Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol?
The InChIKey is RFAXLXKIAKIUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H.
What are the key properties of 1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol?
1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol has a molecular weight of 350.46 g/mol, XLogP of 6.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol is sourced from PubChem (CID 521106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).