sodium;hydride;1H-indazole-4-thiol

C7H7N2NaS — CID 175160320

IUPACsodium;hydride;1H-indazole-4-thiol
SMILESSc1cccc2[nH]ncc12.[H-].[Na+]
InChIInChI=1S/C7H6N2S.Na.H/c10-7-3-1-2-6-5(7)4-8-9-6;;/h1-4,10H,(H,8,9);;/q;+1;-1
InChIKeyVZPBNOKXARFENY-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.03
Rot. Bonds

About sodium;hydride;1H-indazole-4-thiol

sodium;hydride;1H-indazole-4-thiol (PubChem CID 175160320) has the molecular formula C7H7N2NaS and a molecular weight of 174.20 g/mol. Its IUPAC name is sodium;hydride;1H-indazole-4-thiol.

Molecular Properties

Compound Namesodium;hydride;1H-indazole-4-thiol
PubChem CID175160320
Molecular FormulaC7H7N2NaS
Molecular Weight174.20 g/mol
Exact Mass174.02
IUPAC Namesodium;hydride;1H-indazole-4-thiol
SMILESSc1cccc2[nH]ncc12.[H-].[Na+]
InChIInChI=1S/C7H6N2S.Na.H/c10-7-3-1-2-6-5(7)4-8-9-6;;/h1-4,10H,(H,8,9);;/q;+1;-1
InChIKeyVZPBNOKXARFENY-UHFFFAOYSA-N
XLogP-1.03
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

sodium;4-chloro-1H-indazole;hydride
CID 175559887
CID 174665708
CID 174665708
1-(1H-indazol-4-yl)ethanethiol
CID 135200375
1H-indazol-4-amine;dihydrochloride
CID 18779330
potassium trifluoro(1H-indazol-4-yl)boranuide
CID 121229109
1H-indazol-4-ylboronic acid;hydrochloride
CID 46738007
1H-indazol-4-amine;2-methylpropanoic acid
CID 159051220
N-cyclopropyl-1H-indazol-4-amine
CID 103439210
1H-indazol-4-yl formate
CID 134537782
3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol
CID 171862199
4-(2-methylbut-3-en-2-yl)-1H-indazole
CID 123509900
4-(azetidin-3-yl)-1H-indazole;ethane
CID 91525008

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1H-indazole-4-thiol?
The IUPAC name of sodium;hydride;1H-indazole-4-thiol (CID 175160320) is sodium;hydride;1H-indazole-4-thiol.
What is the SMILES notation for sodium;hydride;1H-indazole-4-thiol?
The canonical SMILES for sodium;hydride;1H-indazole-4-thiol is Sc1cccc2[nH]ncc12.[H-].[Na+].
What is the InChIKey of sodium;hydride;1H-indazole-4-thiol?
The InChIKey is VZPBNOKXARFENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S.Na.H/c10-7-3-1-2-6-5(7)4-8-9-6;;/h1-4,10H,(H,8,9);;/q;+1;-1.
What are the key properties of sodium;hydride;1H-indazole-4-thiol?
sodium;hydride;1H-indazole-4-thiol has a molecular weight of 174.20 g/mol, XLogP of -1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1H-indazole-4-thiol is sourced from PubChem (CID 175160320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).