sulfino cyanate

CHNO3S — CID 57074304

IUPACsulfino cyanate
SMILESN#COS(=O)O
InChIInChI=1S/CHNO3S/c2-1-5-6(3)4/h(H,3,4)
InChIKeyXSRYHDKUSKMNJL-UHFFFAOYSA-N
MW107.09 g/mol
LogP-0.38
Rot. Bonds1

About sulfino cyanate

sulfino cyanate (PubChem CID 57074304) has the molecular formula CHNO3S and a molecular weight of 107.09 g/mol. Its IUPAC name is sulfino cyanate.

Molecular Properties

Compound Namesulfino cyanate
PubChem CID57074304
Molecular FormulaCHNO3S
Molecular Weight107.09 g/mol
Exact Mass106.97
IUPAC Namesulfino cyanate
SMILESN#COS(=O)O
InChIInChI=1S/CHNO3S/c2-1-5-6(3)4/h(H,3,4)
InChIKeyXSRYHDKUSKMNJL-UHFFFAOYSA-N
XLogP-0.38
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.09
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sulfino cyanate?
The IUPAC name of sulfino cyanate (CID 57074304) is sulfino cyanate.
What is the SMILES notation for sulfino cyanate?
The canonical SMILES for sulfino cyanate is N#COS(=O)O.
What is the InChIKey of sulfino cyanate?
The InChIKey is XSRYHDKUSKMNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNO3S/c2-1-5-6(3)4/h(H,3,4).
What are the key properties of sulfino cyanate?
sulfino cyanate has a molecular weight of 107.09 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfino cyanate is sourced from PubChem (CID 57074304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).