hydroxysulfanyl cyanate

CHNO2S — CID 173455422

IUPAChydroxysulfanyl cyanate
SMILESN#COSO
InChIInChI=1S/CHNO2S/c2-1-4-5-3/h3H
InChIKeyJCUOZCUEUOJCAM-UHFFFAOYSA-N
MW91.09 g/mol
LogP0.61
Rot. Bonds1

About hydroxysulfanyl cyanate

hydroxysulfanyl cyanate (PubChem CID 173455422) has the molecular formula CHNO2S and a molecular weight of 91.09 g/mol. Its IUPAC name is hydroxysulfanyl cyanate.

Molecular Properties

Compound Namehydroxysulfanyl cyanate
PubChem CID173455422
Molecular FormulaCHNO2S
Molecular Weight91.09 g/mol
Exact Mass90.97
IUPAC Namehydroxysulfanyl cyanate
SMILESN#COSO
InChIInChI=1S/CHNO2S/c2-1-4-5-3/h3H
InChIKeyJCUOZCUEUOJCAM-UHFFFAOYSA-N
XLogP0.61
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.09
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxysulfanyl cyanate?
The IUPAC name of hydroxysulfanyl cyanate (CID 173455422) is hydroxysulfanyl cyanate.
What is the SMILES notation for hydroxysulfanyl cyanate?
The canonical SMILES for hydroxysulfanyl cyanate is N#COSO.
What is the InChIKey of hydroxysulfanyl cyanate?
The InChIKey is JCUOZCUEUOJCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNO2S/c2-1-4-5-3/h3H.
What are the key properties of hydroxysulfanyl cyanate?
hydroxysulfanyl cyanate has a molecular weight of 91.09 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxysulfanyl cyanate is sourced from PubChem (CID 173455422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).