6-hydroxyindazole-1-carbothioamide

C8H7N3OS — CID 136967127

IUPAC6-hydroxyindazole-1-carbothioamide
SMILESNC(=S)n1ncc2ccc(O)cc21
InChIInChI=1S/C8H7N3OS/c9-8(13)11-7-3-6(12)2-1-5(7)4-10-11/h1-4,12H,(H2,9,13)
InChIKeyJDIVSSUXEBXGEN-UHFFFAOYSA-N
MW193.23 g/mol
LogP0.83
Rot. Bonds

About 6-hydroxyindazole-1-carbothioamide

6-hydroxyindazole-1-carbothioamide (PubChem CID 136967127) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 6-hydroxyindazole-1-carbothioamide.

Molecular Properties

Compound Name6-hydroxyindazole-1-carbothioamide
PubChem CID136967127
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name6-hydroxyindazole-1-carbothioamide
SMILESNC(=S)n1ncc2ccc(O)cc21
InChIInChI=1S/C8H7N3OS/c9-8(13)11-7-3-6(12)2-1-5(7)4-10-11/h1-4,12H,(H2,9,13)
InChIKeyJDIVSSUXEBXGEN-UHFFFAOYSA-N
XLogP0.83
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylazetidin-3-yl)indazol-6-ol
CID 170394619
1-(3-fluorophenyl)indazol-6-ol
CID 136699638
3-(6-hydroxyindazol-1-yl)benzaldehyde
CID 136917932
tert-butyl 5-hydroxyindazole-1-carboxylate
CID 118798018
9-hydroxycarbazole-2,7-diol
CID 118518273
4-(4-methylphenyl)-5-phenylpyrazole-1-carbothioamide
CID 102295019
1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol
CID 115028680
1-methoxyindol-6-ol
CID 69254132
1-prop-2-ynylindazol-5-ol
CID 166823684
methyl 2-[(6-methylindazole-1-carbonyl)amino]benzoate
CID 53033840
1,2-di(indazol-1-yl)ethane-1,2-dione
CID 139197503
6-bromo-N'-(3-hydroxyprop-1-en-2-yl)-N-methylideneindazole-1-carboximidamide
CID 118670630

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyindazole-1-carbothioamide?
The IUPAC name of 6-hydroxyindazole-1-carbothioamide (CID 136967127) is 6-hydroxyindazole-1-carbothioamide.
What is the SMILES notation for 6-hydroxyindazole-1-carbothioamide?
The canonical SMILES for 6-hydroxyindazole-1-carbothioamide is NC(=S)n1ncc2ccc(O)cc21.
What is the InChIKey of 6-hydroxyindazole-1-carbothioamide?
The InChIKey is JDIVSSUXEBXGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c9-8(13)11-7-3-6(12)2-1-5(7)4-10-11/h1-4,12H,(H2,9,13).
What are the key properties of 6-hydroxyindazole-1-carbothioamide?
6-hydroxyindazole-1-carbothioamide has a molecular weight of 193.23 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyindazole-1-carbothioamide is sourced from PubChem (CID 136967127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).