cyanatosulfanyl cyanate

C2N2O2S — CID 54444276

IUPACcyanatosulfanyl cyanate
SMILESN#COSOC#N
InChIInChI=1S/C2N2O2S/c3-1-5-7-6-2-4
InChIKeyWQJONRMBVKFKOB-UHFFFAOYSA-N
MW116.10 g/mol
LogP0.54
Rot. Bonds2

About cyanatosulfanyl cyanate

cyanatosulfanyl cyanate (PubChem CID 54444276) has the molecular formula C2N2O2S and a molecular weight of 116.10 g/mol. Its IUPAC name is cyanatosulfanyl cyanate.

Molecular Properties

Compound Namecyanatosulfanyl cyanate
PubChem CID54444276
Molecular FormulaC2N2O2S
Molecular Weight116.10 g/mol
Exact Mass115.97
IUPAC Namecyanatosulfanyl cyanate
SMILESN#COSOC#N
InChIInChI=1S/C2N2O2S/c3-1-5-7-6-2-4
InChIKeyWQJONRMBVKFKOB-UHFFFAOYSA-N
XLogP0.54
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.10
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azane;cyanatosulfanyl cyanate
CID 88610556
cyanatomethylsulfanyl cyanate
CID 87602841
cobalt;thiocyanatomercury
CID 57376817
sodium;hydride;phosphanyl cyanate
CID 174818007
barium(2+);bromo cyanate;hydride
CID 174987279
potassium;amino cyanate;hydride
CID 174784610
sodium;fluoro cyanate;hydride
CID 175390486
(cyanatodiazenyl) cyanate
CID 175722375
tricyanatostannyl cyanate
CID 141124665
bromo peroxycyanate
CID 162697951
copper;dithiocyanatolead
CID 158355536
[cyano(thiocyanato)amino] cyanate
CID 151836977

Frequently Asked Questions

What is the IUPAC name of cyanatosulfanyl cyanate?
The IUPAC name of cyanatosulfanyl cyanate (CID 54444276) is cyanatosulfanyl cyanate.
What is the SMILES notation for cyanatosulfanyl cyanate?
The canonical SMILES for cyanatosulfanyl cyanate is N#COSOC#N.
What is the InChIKey of cyanatosulfanyl cyanate?
The InChIKey is WQJONRMBVKFKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N2O2S/c3-1-5-7-6-2-4.
What are the key properties of cyanatosulfanyl cyanate?
cyanatosulfanyl cyanate has a molecular weight of 116.10 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyanatosulfanyl cyanate is sourced from PubChem (CID 54444276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).