azane thiocyanate

CH3N2S- — CID 19922763

IUPACazane thiocyanate
SMILESN.N#C[S-]
InChIInChI=1S/CHNS.H3N/c2-1-3;/h3H;1H3/p-1
InChIKeySOIFLUNRINLCBN-UHFFFAOYSA-M
MW75.12 g/mol
LogP0.18
Rot. Bonds

About azane thiocyanate

azane thiocyanate (PubChem CID 19922763) has the molecular formula CH3N2S- and a molecular weight of 75.12 g/mol. Its IUPAC name is azane thiocyanate.

Molecular Properties

Compound Nameazane thiocyanate
PubChem CID19922763
Molecular FormulaCH3N2S-
Molecular Weight75.12 g/mol
Exact Mass75.00
IUPAC Nameazane thiocyanate
SMILESN.N#C[S-]
InChIInChI=1S/CHNS.H3N/c2-1-3;/h3H;1H3/p-1
InChIKeySOIFLUNRINLCBN-UHFFFAOYSA-M
XLogP0.18
TPSA58.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.12
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane thiocyanate?
The IUPAC name of azane thiocyanate (CID 19922763) is azane thiocyanate.
What is the SMILES notation for azane thiocyanate?
The canonical SMILES for azane thiocyanate is N.N#C[S-].
What is the InChIKey of azane thiocyanate?
The InChIKey is SOIFLUNRINLCBN-UHFFFAOYSA-M. The full InChI is InChI=1S/CHNS.H3N/c2-1-3;/h3H;1H3/p-1.
What are the key properties of azane thiocyanate?
azane thiocyanate has a molecular weight of 75.12 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane thiocyanate is sourced from PubChem (CID 19922763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).