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4J3 : Summary

Code

4J3

One-letter code

X

Molecule name

amino(aminooxy)sulfane dioxide

Systematic names

ProgramVersionName
ACDLabs 12.01 amino(aminooxy)sulfane dioxide
OpenEye OEToolkits 1.9.2 azanyl sulfamate

Formula

H4 N2 O3 S

Formal charge

0

Molecular weight

112.108 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NS(=O)(ON)=O
SMILES CACTVS 3.385 NO[S](N)(=O)=O
SMILES OpenEye OEToolkits 1.9.2 NOS(=O)(=O)N
Canonical SMILES CACTVS 3.385 NO[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 1.9.2 NOS(=O)(=O)N

IUPAC InChI

InChI=1S/H4N2O3S/c1-5-6(2,3)4/h1H2,(H2,2,3,4)

IUPAC InChI key

BTXCHYCUHBGRMK-UHFFFAOYSA-N
4J3

wwPDB Information

Atom count

10 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-03-20

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned