8-sulfanylnaphthalene-1,2-diol

C10H8O2S — CID 142855011

IUPAC8-sulfanylnaphthalene-1,2-diol
SMILESOc1ccc2cccc(S)c2c1O
InChIInChI=1S/C10H8O2S/c11-7-5-4-6-2-1-3-8(13)9(6)10(7)12/h1-5,11-13H
InChIKeyJDKCBZTUMHOWBN-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.54
Rot. Bonds

About 8-sulfanylnaphthalene-1,2-diol

8-sulfanylnaphthalene-1,2-diol (PubChem CID 142855011) has the molecular formula C10H8O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is 8-sulfanylnaphthalene-1,2-diol.

Molecular Properties

Compound Name8-sulfanylnaphthalene-1,2-diol
PubChem CID142855011
Molecular FormulaC10H8O2S
Molecular Weight192.24 g/mol
Exact Mass192.02
IUPAC Name8-sulfanylnaphthalene-1,2-diol
SMILESOc1ccc2cccc(S)c2c1O
InChIInChI=1S/C10H8O2S/c11-7-5-4-6-2-1-3-8(13)9(6)10(7)12/h1-5,11-13H
InChIKeyJDKCBZTUMHOWBN-UHFFFAOYSA-N
XLogP2.54
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-sulfanylnaphthalene-1,2-diol?
The IUPAC name of 8-sulfanylnaphthalene-1,2-diol (CID 142855011) is 8-sulfanylnaphthalene-1,2-diol.
What is the SMILES notation for 8-sulfanylnaphthalene-1,2-diol?
The canonical SMILES for 8-sulfanylnaphthalene-1,2-diol is Oc1ccc2cccc(S)c2c1O.
What is the InChIKey of 8-sulfanylnaphthalene-1,2-diol?
The InChIKey is JDKCBZTUMHOWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S/c11-7-5-4-6-2-1-3-8(13)9(6)10(7)12/h1-5,11-13H.
What are the key properties of 8-sulfanylnaphthalene-1,2-diol?
8-sulfanylnaphthalene-1,2-diol has a molecular weight of 192.24 g/mol, XLogP of 2.54, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-sulfanylnaphthalene-1,2-diol is sourced from PubChem (CID 142855011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).