1H-indazole-5-thiolate

C7H5N2S- — CID 51922109

IUPAC1H-indazole-5-thiolate
SMILES[S-]c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2S/c10-6-1-2-7-5(3-6)4-8-9-7/h1-4,10H,(H,8,9)/p-1
InChIKeyZISLUPNINLZWRT-UHFFFAOYSA-M
MW149.20 g/mol
LogP1.47
Rot. Bonds

About 1H-indazole-5-thiolate

1H-indazole-5-thiolate (PubChem CID 51922109) has the molecular formula C7H5N2S- and a molecular weight of 149.20 g/mol. Its IUPAC name is 1H-indazole-5-thiolate.

Molecular Properties

Compound Name1H-indazole-5-thiolate
PubChem CID51922109
Molecular FormulaC7H5N2S-
Molecular Weight149.20 g/mol
Exact Mass149.02
IUPAC Name1H-indazole-5-thiolate
SMILES[S-]c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2S/c10-6-1-2-7-5(3-6)4-8-9-7/h1-4,10H,(H,8,9)/p-1
InChIKeyZISLUPNINLZWRT-UHFFFAOYSA-M
XLogP1.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

ethane;5-methyl-1H-indazole
CID 178026047
1H-indazol-5-yl(methanidyl)azanium
CID 23545601
5-(chloromethyl)-1H-indazole;hydrochloride
CID 72710304
5-(bromomethyl)-1H-indazole;hydron
CID 70114512
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole
CID 138396393
1H-indazole-5-sulfonamide
CID 22567171
5-(methoxymethyl)-1H-indazole
CID 123206066
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
1H-indazol-5-amine;5-methyl-1H-indazole
CID 159974362
1-(1H-indazol-5-yl)cyclopropan-1-ol
CID 117277102
5-(4-methoxyphenoxy)-1H-indazole
CID 22349444
5-(3-methoxypropyl)-1H-indazole
CID 175249018

Frequently Asked Questions

What is the IUPAC name of 1H-indazole-5-thiolate?
The IUPAC name of 1H-indazole-5-thiolate (CID 51922109) is 1H-indazole-5-thiolate.
What is the SMILES notation for 1H-indazole-5-thiolate?
The canonical SMILES for 1H-indazole-5-thiolate is [S-]c1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazole-5-thiolate?
The InChIKey is ZISLUPNINLZWRT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6N2S/c10-6-1-2-7-5(3-6)4-8-9-7/h1-4,10H,(H,8,9)/p-1.
What are the key properties of 1H-indazole-5-thiolate?
1H-indazole-5-thiolate has a molecular weight of 149.20 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole-5-thiolate is sourced from PubChem (CID 51922109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).