8-(trioxidanylsulfanyl)naphthalen-2-ol

C10H8O4S — CID 58883609

IUPAC8-(trioxidanylsulfanyl)naphthalen-2-ol
SMILESOOOSc1cccc2ccc(O)cc12
InChIInChI=1S/C10H8O4S/c11-8-5-4-7-2-1-3-10(9(7)6-8)15-14-13-12/h1-6,11-12H
InChIKeySDZQKGDAYIVNJF-UHFFFAOYSA-N
MW224.24 g/mol
LogP2.97
Rot. Bonds3

About 8-(trioxidanylsulfanyl)naphthalen-2-ol

8-(trioxidanylsulfanyl)naphthalen-2-ol (PubChem CID 58883609) has the molecular formula C10H8O4S and a molecular weight of 224.24 g/mol. Its IUPAC name is 8-(trioxidanylsulfanyl)naphthalen-2-ol.

Molecular Properties

Compound Name8-(trioxidanylsulfanyl)naphthalen-2-ol
PubChem CID58883609
Molecular FormulaC10H8O4S
Molecular Weight224.24 g/mol
Exact Mass224.01
IUPAC Name8-(trioxidanylsulfanyl)naphthalen-2-ol
SMILESOOOSc1cccc2ccc(O)cc12
InChIInChI=1S/C10H8O4S/c11-8-5-4-7-2-1-3-10(9(7)6-8)15-14-13-12/h1-6,11-12H
InChIKeySDZQKGDAYIVNJF-UHFFFAOYSA-N
XLogP2.97
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 8-(trioxidanylsulfanyl)naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(trioxidanylsulfanyl)phenol
CID 140793190
1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol
CID 124519274
phenanthren-3-ol
CID 73057263
5-methylsulfanylnaphthalen-2-ol
CID 130033798
8-aminonaphthalen-2-ol;ethane
CID 91086643
4-(trioxidanylsulfanyl)phenol
CID 20632478
(7-hydroxynaphthalen-1-yl) acetate
CID 130034551
(7-hydroxynaphthalen-1-yl) dihydrogen phosphate
CID 153322561
bis(naphthalene-2,7-diol);naphthalen-1-ol
CID 174973186
5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 153324996
5-phenylmethoxynaphthalen-2-ol
CID 71348952
(2S)-2-(7-hydroxynaphthalen-1-yl)propanoic acid
CID 124560296

Frequently Asked Questions

What is the IUPAC name of 8-(trioxidanylsulfanyl)naphthalen-2-ol?
The IUPAC name of 8-(trioxidanylsulfanyl)naphthalen-2-ol (CID 58883609) is 8-(trioxidanylsulfanyl)naphthalen-2-ol.
What is the SMILES notation for 8-(trioxidanylsulfanyl)naphthalen-2-ol?
The canonical SMILES for 8-(trioxidanylsulfanyl)naphthalen-2-ol is OOOSc1cccc2ccc(O)cc12.
What is the InChIKey of 8-(trioxidanylsulfanyl)naphthalen-2-ol?
The InChIKey is SDZQKGDAYIVNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4S/c11-8-5-4-7-2-1-3-10(9(7)6-8)15-14-13-12/h1-6,11-12H.
What are the key properties of 8-(trioxidanylsulfanyl)naphthalen-2-ol?
8-(trioxidanylsulfanyl)naphthalen-2-ol has a molecular weight of 224.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trioxidanylsulfanyl)naphthalen-2-ol is sourced from PubChem (CID 58883609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).