2-hydroxy-3H-1,2,3-benzothiadiazole

C6H6N2OS — CID 66810769

IUPAC2-hydroxy-3H-1,2,3-benzothiadiazole
SMILESON1Nc2ccccc2S1
InChIInChI=1S/C6H6N2OS/c9-8-7-5-3-1-2-4-6(5)10-8/h1-4,7,9H
InChIKeyPIBUSPPTGIUTHP-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.73
Rot. Bonds

About 2-hydroxy-3H-1,2,3-benzothiadiazole

2-hydroxy-3H-1,2,3-benzothiadiazole (PubChem CID 66810769) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-hydroxy-3H-1,2,3-benzothiadiazole.

Molecular Properties

Compound Name2-hydroxy-3H-1,2,3-benzothiadiazole
PubChem CID66810769
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name2-hydroxy-3H-1,2,3-benzothiadiazole
SMILESON1Nc2ccccc2S1
InChIInChI=1S/C6H6N2OS/c9-8-7-5-3-1-2-4-6(5)10-8/h1-4,7,9H
InChIKeyPIBUSPPTGIUTHP-UHFFFAOYSA-N
XLogP1.73
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzodithiazole
CID 13956210
1,2,3-Benzodithiazolium chloride
CID 88755983
2-Amino-benzthiadiazole
CID 129765203
2,1,3-Benzoselenathiazole
CID 129789544
2,3-Difluoro-1,2,3-benzothiadiazole
CID 121399017
2-but-3-ynyl-5-fluoro-3H-1,2,3-benzothiadiazole
CID 140098303
4-fluoro-2-methyl-3H-1,2,3-benzothiadiazole
CID 141742810
6-Fluoro-2,3-dihydro-1,2,3-benzothiadiazole
CID 145018647
3,4-difluoro-2H-1,2,3-benzothiadiazole
CID 145096295
2-fluoro-3H-1,2,3-benzothiadiazole
CID 169275473
2-(2-Mercaptophenyl)-1,2,3-benzothiadiazoline
CID 14420801
1,3,2-Benzothiazaborol-2(3H)-yl
CID 71330181

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3H-1,2,3-benzothiadiazole?
The IUPAC name of 2-hydroxy-3H-1,2,3-benzothiadiazole (CID 66810769) is 2-hydroxy-3H-1,2,3-benzothiadiazole.
What is the SMILES notation for 2-hydroxy-3H-1,2,3-benzothiadiazole?
The canonical SMILES for 2-hydroxy-3H-1,2,3-benzothiadiazole is ON1Nc2ccccc2S1.
What is the InChIKey of 2-hydroxy-3H-1,2,3-benzothiadiazole?
The InChIKey is PIBUSPPTGIUTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c9-8-7-5-3-1-2-4-6(5)10-8/h1-4,7,9H.
What are the key properties of 2-hydroxy-3H-1,2,3-benzothiadiazole?
2-hydroxy-3H-1,2,3-benzothiadiazole has a molecular weight of 154.19 g/mol, XLogP of 1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3H-1,2,3-benzothiadiazole is sourced from PubChem (CID 66810769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).