cyano(oxo)sulfanium

CNOS+ — CID 172794536

IUPACcyano(oxo)sulfanium
SMILESN#C[S+]=O
InChIInChI=1S/CNOS/c2-1-4-3/q+1
InChIKeyQAEDRDXORBTAEX-UHFFFAOYSA-N
MW74.08 g/mol
LogP-0.10
Rot. Bonds

About cyano(oxo)sulfanium

cyano(oxo)sulfanium (PubChem CID 172794536) has the molecular formula CNOS+ and a molecular weight of 74.08 g/mol. Its IUPAC name is cyano(oxo)sulfanium.

Molecular Properties

Compound Namecyano(oxo)sulfanium
PubChem CID172794536
Molecular FormulaCNOS+
Molecular Weight74.08 g/mol
Exact Mass73.97
IUPAC Namecyano(oxo)sulfanium
SMILESN#C[S+]=O
InChIInChI=1S/CNOS/c2-1-4-3/q+1
InChIKeyQAEDRDXORBTAEX-UHFFFAOYSA-N
XLogP-0.10
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.08
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

scandium;hexahydrate
CID 159475498
1-cyanopropyl(oxo)sulfanium
CID 174531591
CID 161116038
CID 161116038
CID 175756165
CID 175756165
cadmium;oxotin;hydrate
CID 175904516
CID 57372133
CID 57372133
NCN radical
CID 5384683
bis(acetonitrile);chloropalladium(1+);nitrate
CID 15368189
oxosilylformonitrile
CID 57376794
CID 53425736
CID 53425736
phosphorosoformonitrile
CID 18673237
formaldehyde;rhenium;thiocyanate
CID 119097765

Frequently Asked Questions

What is the IUPAC name of cyano(oxo)sulfanium?
The IUPAC name of cyano(oxo)sulfanium (CID 172794536) is cyano(oxo)sulfanium.
What is the SMILES notation for cyano(oxo)sulfanium?
The canonical SMILES for cyano(oxo)sulfanium is N#C[S+]=O.
What is the InChIKey of cyano(oxo)sulfanium?
The InChIKey is QAEDRDXORBTAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/CNOS/c2-1-4-3/q+1.
What are the key properties of cyano(oxo)sulfanium?
cyano(oxo)sulfanium has a molecular weight of 74.08 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyano(oxo)sulfanium is sourced from PubChem (CID 172794536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).