Basic information
- CAS
57116-33-3- Standard SMILES
NC1=NS(=O)(=O)Nc2nonc21- InChIKey
SICZNTHLQDYXGR-UHFFFAOYSA-N- Molecular formula
- C3H3N5O3S
- Average molar mass
- 189.16 g/mol
- Monoisotopic mass
- 188.99566015
Names & identifiers
- Preferred name
- 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide
- IUPAC
- 5,5-dioxo-4H-[1,2,5]oxadiazolo[3,4-c][1,2,6]thiadiazin-7-amine
Names & synonyms
57116-33-3NSC289497NSC 2894973H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide3H-[1,2,5]Oxadiazolo[3,4-c][1,2,6]thiadiazin-7(6H)-imine 5,5-dioxideDTXSID70205747NSC-289497{3H-[1,2,5]Oxadiazolo[3,4-c][1,2,6]thiadiazin-7-amine,} 5,5-dioxide3H-[1,5]Oxadiazolo[3,4-c][1,2,6]thiadiazin-7-amine, 5,5-dioxide5,5-dioxo-3H-[1,2,5]oxadiazolo[3,4-c][1,2,6]thiadiazin-7-imine5,5-Dioxo-4,5-dihydro-5I>>6-[1,2,5]oxadiazolo[3,4-c][1,2,6]thiadiazin-7-ylamine7-Amino-5lambda~6~-[1,2,5]oxadiazolo[3,4-c][1,2,6]thiadiazine-5,5(3H)-dione
Show more names
InChI=1/C3H3N5O3S/c4-2-1-3(6-11-5-1)8-12(9,10)7-2/h(H2,4,7)(H,6,8
Database identifiers
- CAS
57116-33-3- PubChem CID
- 324345
- DTXSID
DTXSID70205747
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 317
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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