sodium;(4-aminophenyl) thiocyanate;hydride

C7H7N2NaS — CID 173290931

IUPACsodium;(4-aminophenyl) thiocyanate;hydride
SMILESN#CSc1ccc(N)cc1.[H-].[Na+]
InChIInChI=1S/C7H6N2S.Na.H/c8-5-10-7-3-1-6(9)2-4-7;;/h1-4H,9H2;;/q;+1;-1
InChIKeyWAWNSRJQKQAUED-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.04
Rot. Bonds1

About sodium;(4-aminophenyl) thiocyanate;hydride

sodium;(4-aminophenyl) thiocyanate;hydride (PubChem CID 173290931) has the molecular formula C7H7N2NaS and a molecular weight of 174.20 g/mol. Its IUPAC name is sodium;(4-aminophenyl) thiocyanate;hydride.

Molecular Properties

Compound Namesodium;(4-aminophenyl) thiocyanate;hydride
PubChem CID173290931
Molecular FormulaC7H7N2NaS
Molecular Weight174.20 g/mol
Exact Mass174.02
IUPAC Namesodium;(4-aminophenyl) thiocyanate;hydride
SMILESN#CSc1ccc(N)cc1.[H-].[Na+]
InChIInChI=1S/C7H6N2S.Na.H/c8-5-10-7-3-1-6(9)2-4-7;;/h1-4H,9H2;;/q;+1;-1
InChIKeyWAWNSRJQKQAUED-UHFFFAOYSA-N
XLogP-1.04
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;(4-aminophenyl) thiocyanate;hydride?
The IUPAC name of sodium;(4-aminophenyl) thiocyanate;hydride (CID 173290931) is sodium;(4-aminophenyl) thiocyanate;hydride.
What is the SMILES notation for sodium;(4-aminophenyl) thiocyanate;hydride?
The canonical SMILES for sodium;(4-aminophenyl) thiocyanate;hydride is N#CSc1ccc(N)cc1.[H-].[Na+].
What is the InChIKey of sodium;(4-aminophenyl) thiocyanate;hydride?
The InChIKey is WAWNSRJQKQAUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S.Na.H/c8-5-10-7-3-1-6(9)2-4-7;;/h1-4H,9H2;;/q;+1;-1.
What are the key properties of sodium;(4-aminophenyl) thiocyanate;hydride?
sodium;(4-aminophenyl) thiocyanate;hydride has a molecular weight of 174.20 g/mol, XLogP of -1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(4-aminophenyl) thiocyanate;hydride is sourced from PubChem (CID 173290931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).