Basic information
- CAS
70377-73-0- Standard SMILES
C[N+]1=NOCC1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
QUBNFVXCGNKJCK-UHFFFAOYSA-M- Molecular formula
- C10H14N2O4S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.06742811
Names & identifiers
- Preferred name
- 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)
- IUPAC
- 4-methylbenzenesulfonate;3-methyl-4,5-dihydrooxadiazol-3-ium
Names & synonyms
70377-73-01,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)NSC 3129014,5-Dihydro-3-methyl-1,2,3-oxadiazolium salt with 4-methylbenzenesulfonic acid (1:1)ANTINEOPLASTIC-312901DTXSID00220640NSC312901NSC-3129013-Methyl-4,5-dihydro-1,2,3-oxadiazol-3-ium 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
70377-73-0- PubChem CID
- 153249
- DTXSID
DTXSID00220640
Properties
Computed structural properties
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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