6-hydrazinyl-3-(trioxidanylsulfanyl)naphthalen-1-ol

C10H10N2O4S — CID 59372674

IUPAC6-hydrazinyl-3-(trioxidanylsulfanyl)naphthalen-1-ol
SMILESNNc1ccc2c(O)cc(SOOO)cc2c1
InChIInChI=1S/C10H10N2O4S/c11-12-7-1-2-9-6(3-7)4-8(5-10(9)13)17-16-15-14/h1-5,12-14H,11H2
InChIKeyGEMHZTZWINYLSN-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.26
Rot. Bonds4

About 6-hydrazinyl-3-(trioxidanylsulfanyl)naphthalen-1-ol

6-hydrazinyl-3-(trioxidanylsulfanyl)naphthalen-1-ol (PubChem CID 59372674) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is 6-hydrazinyl-3-(trioxidanylsulfanyl)naphthalen-1-ol.

Molecular Properties

Compound Name6-hydrazinyl-3-(trioxidanylsulfanyl)naphthalen-1-ol
PubChem CID59372674
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name6-hydrazinyl-3-(trioxidanylsulfanyl)naphthalen-1-ol
SMILESNNc1ccc2c(O)cc(SOOO)cc2c1
InChIInChI=1S/C10H10N2O4S/c11-12-7-1-2-9-6(3-7)4-8(5-10(9)13)17-16-15-14/h1-5,12-14H,11H2
InChIKeyGEMHZTZWINYLSN-UHFFFAOYSA-N
XLogP2.26
TPSA96.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-3-(trioxidanylsulfanyl)naphthalen-1-ol?
The IUPAC name of 6-hydrazinyl-3-(trioxidanylsulfanyl)naphthalen-1-ol (CID 59372674) is 6-hydrazinyl-3-(trioxidanylsulfanyl)naphthalen-1-ol.
What is the SMILES notation for 6-hydrazinyl-3-(trioxidanylsulfanyl)naphthalen-1-ol?
The canonical SMILES for 6-hydrazinyl-3-(trioxidanylsulfanyl)naphthalen-1-ol is NNc1ccc2c(O)cc(SOOO)cc2c1.
What is the InChIKey of 6-hydrazinyl-3-(trioxidanylsulfanyl)naphthalen-1-ol?
The InChIKey is GEMHZTZWINYLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c11-12-7-1-2-9-6(3-7)4-8(5-10(9)13)17-16-15-14/h1-5,12-14H,11H2.
What are the key properties of 6-hydrazinyl-3-(trioxidanylsulfanyl)naphthalen-1-ol?
6-hydrazinyl-3-(trioxidanylsulfanyl)naphthalen-1-ol has a molecular weight of 254.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-3-(trioxidanylsulfanyl)naphthalen-1-ol is sourced from PubChem (CID 59372674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).