hydroxysulfonothioyl cyanate

CHNO3S2 — CID 71358817

IUPAChydroxysulfonothioyl cyanate
SMILESN#COS(=O)(O)=S
InChIInChI=1S/CHNO3S2/c2-1-5-7(3,4)6/h(H,3,4,6)
InChIKeyACDJVLWPJCXGAO-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.38
Rot. Bonds1

About hydroxysulfonothioyl cyanate

hydroxysulfonothioyl cyanate (PubChem CID 71358817) has the molecular formula CHNO3S2 and a molecular weight of 139.16 g/mol. Its IUPAC name is hydroxysulfonothioyl cyanate.

Molecular Properties

Compound Namehydroxysulfonothioyl cyanate
PubChem CID71358817
Molecular FormulaCHNO3S2
Molecular Weight139.16 g/mol
Exact Mass138.94
IUPAC Namehydroxysulfonothioyl cyanate
SMILESN#COS(=O)(O)=S
InChIInChI=1S/CHNO3S2/c2-1-5-7(3,4)6/h(H,3,4,6)
InChIKeyACDJVLWPJCXGAO-UHFFFAOYSA-N
XLogP-0.38
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxysulfonothioyl cyanate?
The IUPAC name of hydroxysulfonothioyl cyanate (CID 71358817) is hydroxysulfonothioyl cyanate.
What is the SMILES notation for hydroxysulfonothioyl cyanate?
The canonical SMILES for hydroxysulfonothioyl cyanate is N#COS(=O)(O)=S.
What is the InChIKey of hydroxysulfonothioyl cyanate?
The InChIKey is ACDJVLWPJCXGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNO3S2/c2-1-5-7(3,4)6/h(H,3,4,6).
What are the key properties of hydroxysulfonothioyl cyanate?
hydroxysulfonothioyl cyanate has a molecular weight of 139.16 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxysulfonothioyl cyanate is sourced from PubChem (CID 71358817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).