Dimethyl 1-(4-methylphenyl)sulfonyltriazole-4,5-dicarboxylate
Basic information
- CAS
4953-04-2- Standard SMILES
COC(=O)c1nnn(S(=O)(=O)c2ccc(C)cc2)c1C(=O)OC- InChIKey
YDAAJCVVQNTCCM-UHFFFAOYSA-N- Molecular formula
- C13H13N3O6S
- Average molar mass
- 339.33 g/mol
- Monoisotopic mass
- 339.05250632
Names & identifiers
- Preferred name
- Dimethyl 1-(4-methylphenyl)sulfonyltriazole-4,5-dicarboxylate
- IUPAC
- dimethyl 1-(4-methylphenyl)sulfonyltriazole-4,5-dicarboxylate
Names & synonyms
4953-04-2NSC236582dimethyl 1-(4-methylphenyl)sulfonyltriazole-4,5-dicarboxylateDTXSID50330263NSC-236582Dimethyl 1-(4-methylbenzene-1-sulfonyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Database identifiers
- CAS
4953-04-2- PubChem CID
- 428374
- DTXSID
DTXSID50330263
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 553
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…