azane;hydron;thiocyanic acid

CH5N2S+ — CID 174791541

IUPACazane;hydron;thiocyanic acid
SMILESN.N#CS.[H+]
InChIInChI=1S/CHNS.H3N/c2-1-3;/h3H;1H3/p+1
InChIKeySOIFLUNRINLCBN-UHFFFAOYSA-O
MW77.13 g/mol
LogP0.67
Rot. Bonds

About azane;hydron;thiocyanic acid

azane;hydron;thiocyanic acid (PubChem CID 174791541) has the molecular formula CH5N2S+ and a molecular weight of 77.13 g/mol. Its IUPAC name is azane;hydron;thiocyanic acid.

Molecular Properties

Compound Nameazane;hydron;thiocyanic acid
PubChem CID174791541
Molecular FormulaCH5N2S+
Molecular Weight77.13 g/mol
Exact Mass77.02
IUPAC Nameazane;hydron;thiocyanic acid
SMILESN.N#CS.[H+]
InChIInChI=1S/CHNS.H3N/c2-1-3;/h3H;1H3/p+1
InChIKeySOIFLUNRINLCBN-UHFFFAOYSA-O
XLogP0.67
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.13
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 173280963
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CID 174868626
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Frequently Asked Questions

What is the IUPAC name of azane;hydron;thiocyanic acid?
The IUPAC name of azane;hydron;thiocyanic acid (CID 174791541) is azane;hydron;thiocyanic acid.
What is the SMILES notation for azane;hydron;thiocyanic acid?
The canonical SMILES for azane;hydron;thiocyanic acid is N.N#CS.[H+].
What is the InChIKey of azane;hydron;thiocyanic acid?
The InChIKey is SOIFLUNRINLCBN-UHFFFAOYSA-O. The full InChI is InChI=1S/CHNS.H3N/c2-1-3;/h3H;1H3/p+1.
What are the key properties of azane;hydron;thiocyanic acid?
azane;hydron;thiocyanic acid has a molecular weight of 77.13 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydron;thiocyanic acid is sourced from PubChem (CID 174791541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).