azane;cyanatosulfanyl cyanate

C2H3N3O2S — CID 88610556

IUPACazane;cyanatosulfanyl cyanate
SMILESN.N#COSOC#N
InChIInChI=1S/C2N2O2S.H3N/c3-1-5-7-6-2-4;/h;1H3
InChIKeyTUXLBHHOYJOVLB-UHFFFAOYSA-N
MW133.13 g/mol
LogP0.71
Rot. Bonds2

About azane;cyanatosulfanyl cyanate

azane;cyanatosulfanyl cyanate (PubChem CID 88610556) has the molecular formula C2H3N3O2S and a molecular weight of 133.13 g/mol. Its IUPAC name is azane;cyanatosulfanyl cyanate.

Molecular Properties

Compound Nameazane;cyanatosulfanyl cyanate
PubChem CID88610556
Molecular FormulaC2H3N3O2S
Molecular Weight133.13 g/mol
Exact Mass132.99
IUPAC Nameazane;cyanatosulfanyl cyanate
SMILESN.N#COSOC#N
InChIInChI=1S/C2N2O2S.H3N/c3-1-5-7-6-2-4;/h;1H3
InChIKeyTUXLBHHOYJOVLB-UHFFFAOYSA-N
XLogP0.71
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.13
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

cyanatosulfanyl cyanate
CID 54444276
cyanatomethylsulfanyl cyanate
CID 87602841
cobalt;thiocyanatomercury
CID 57376817
sodium;hydride;phosphanyl cyanate
CID 174818007
azane;carbononitridic fluoride
CID 174528672
potassium;amino cyanate;hydride
CID 174784610
barium(2+);bromo cyanate;hydride
CID 174987279
sodium;fluoro cyanate;hydride
CID 175390486
(cyanatodiazenyl) cyanate
CID 175722375
tricyanatostannyl cyanate
CID 141124665
bromo peroxycyanate
CID 162697951
copper;dithiocyanatolead
CID 158355536

Frequently Asked Questions

What is the IUPAC name of azane;cyanatosulfanyl cyanate?
The IUPAC name of azane;cyanatosulfanyl cyanate (CID 88610556) is azane;cyanatosulfanyl cyanate.
What is the SMILES notation for azane;cyanatosulfanyl cyanate?
The canonical SMILES for azane;cyanatosulfanyl cyanate is N.N#COSOC#N.
What is the InChIKey of azane;cyanatosulfanyl cyanate?
The InChIKey is TUXLBHHOYJOVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N2O2S.H3N/c3-1-5-7-6-2-4;/h;1H3.
What are the key properties of azane;cyanatosulfanyl cyanate?
azane;cyanatosulfanyl cyanate has a molecular weight of 133.13 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cyanatosulfanyl cyanate is sourced from PubChem (CID 88610556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).