isocyanic acid;sulfurofluoridic acid

CH2FNO4S — CID 175003090

IUPACisocyanic acid;sulfurofluoridic acid
SMILESN=C=O.O=S(=O)(O)F
InChIInChI=1S/CHNO.FHO3S/c2-1-3;1-5(2,3)4/h2H;(H,2,3,4)
InChIKeyKGJLHICBDJYZMZ-UHFFFAOYSA-N
MW143.09 g/mol
LogP-0.34
Rot. Bonds

About isocyanic acid;sulfurofluoridic acid

isocyanic acid;sulfurofluoridic acid (PubChem CID 175003090) has the molecular formula CH2FNO4S and a molecular weight of 143.09 g/mol. Its IUPAC name is isocyanic acid;sulfurofluoridic acid.

Molecular Properties

Compound Nameisocyanic acid;sulfurofluoridic acid
PubChem CID175003090
Molecular FormulaCH2FNO4S
Molecular Weight143.09 g/mol
Exact Mass142.97
IUPAC Nameisocyanic acid;sulfurofluoridic acid
SMILESN=C=O.O=S(=O)(O)F
InChIInChI=1S/CHNO.FHO3S/c2-1-3;1-5(2,3)4/h2H;(H,2,3,4)
InChIKeyKGJLHICBDJYZMZ-UHFFFAOYSA-N
XLogP-0.34
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.09
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 159180001
CID 159180001
lanthanum;sulfurofluoridic acid
CID 173300480
benzene;tris(sulfurofluoridic acid)
CID 173082368
pentafluoro-λ5-arsane;sulfurofluoridic acid
CID 160575370
2-hydroxyethanesulfonic acid;isocyanic acid
CID 159735237
fluoromethane;isocyanic acid
CID 174867552
CID 175927772
CID 175927772
isocyanic acid;methane
CID 173240059
isocyanic acid;hexahydrobromide
CID 172844137
isocyanic acid;hydrate
CID 19755102
isocyanic acid;sulfane
CID 161242825
isocyanic acid;trihydrochloride
CID 172863898

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;sulfurofluoridic acid?
The IUPAC name of isocyanic acid;sulfurofluoridic acid (CID 175003090) is isocyanic acid;sulfurofluoridic acid.
What is the SMILES notation for isocyanic acid;sulfurofluoridic acid?
The canonical SMILES for isocyanic acid;sulfurofluoridic acid is N=C=O.O=S(=O)(O)F.
What is the InChIKey of isocyanic acid;sulfurofluoridic acid?
The InChIKey is KGJLHICBDJYZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNO.FHO3S/c2-1-3;1-5(2,3)4/h2H;(H,2,3,4).
What are the key properties of isocyanic acid;sulfurofluoridic acid?
isocyanic acid;sulfurofluoridic acid has a molecular weight of 143.09 g/mol, XLogP of -0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;sulfurofluoridic acid is sourced from PubChem (CID 175003090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).