oxo(sulfinatoimino)methane

CNO3S- — CID 21262081

IUPACoxo(sulfinatoimino)methane
SMILESO=C=NS(=O)[O-]
InChIInChI=1S/CHNO3S/c3-1-2-6(4)5/h(H,4,5)/p-1
InChIKeyCLXWVOONCDPOFI-UHFFFAOYSA-M
MW106.08 g/mol
LogP-0.88
Rot. Bonds1

About oxo(sulfinatoimino)methane

oxo(sulfinatoimino)methane (PubChem CID 21262081) has the molecular formula CNO3S- and a molecular weight of 106.08 g/mol. Its IUPAC name is oxo(sulfinatoimino)methane.

Molecular Properties

Compound Nameoxo(sulfinatoimino)methane
PubChem CID21262081
Molecular FormulaCNO3S-
Molecular Weight106.08 g/mol
Exact Mass105.96
IUPAC Nameoxo(sulfinatoimino)methane
SMILESO=C=NS(=O)[O-]
InChIInChI=1S/CHNO3S/c3-1-2-6(4)5/h(H,4,5)/p-1
InChIKeyCLXWVOONCDPOFI-UHFFFAOYSA-M
XLogP-0.88
TPSA69.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.08
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 174673624
CID 174673624
isocyanatosulfinyl hypochlorite
CID 20694166
CID 22062647
CID 22062647
CID 59919457
CID 59919457
bismuthane;isocyanatobismuthane
CID 173301787
bis(lutetium(3+));trisulfite
CID 159878392
cobalt(2+) sulfite
CID 18760923
ruthenium(2+) sulfite
CID 22610794
disodium;sulfite
CID 516934
dicopper disulfite
CID 170844287
chromium(2+) sulfite
CID 22462027
tetraisocyanatostannane
CID 141113751

Frequently Asked Questions

What is the IUPAC name of oxo(sulfinatoimino)methane?
The IUPAC name of oxo(sulfinatoimino)methane (CID 21262081) is oxo(sulfinatoimino)methane.
What is the SMILES notation for oxo(sulfinatoimino)methane?
The canonical SMILES for oxo(sulfinatoimino)methane is O=C=NS(=O)[O-].
What is the InChIKey of oxo(sulfinatoimino)methane?
The InChIKey is CLXWVOONCDPOFI-UHFFFAOYSA-M. The full InChI is InChI=1S/CHNO3S/c3-1-2-6(4)5/h(H,4,5)/p-1.
What are the key properties of oxo(sulfinatoimino)methane?
oxo(sulfinatoimino)methane has a molecular weight of 106.08 g/mol, XLogP of -0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(sulfinatoimino)methane is sourced from PubChem (CID 21262081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).