Basic information
- CAS
57864-78-5- Standard SMILES
O=C(O)C1=NS(=O)(=O)c2ccccc2N1- InChIKey
AIARBUCVYFXSIS-UHFFFAOYSA-N- Molecular formula
- C8H6N2O4S
- Average molar mass
- 226.21 g/mol
- Monoisotopic mass
- 226.00482785
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 2H-1,2,4-Benzothiadiazine-1,1-dioxide-3-carboxylic acid
- IUPAC
- 1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxylic acid
Names & synonyms
57864-78-52H-1,2,4-Benzothiadiazine-1,1-dioxide-3-carboxylic acidDTXSID10206576RefChem:90079DTXCID401290672H-Benzo[e][1,2,4]thiadiazine-3-carboxylic acid 1,1-dioxide2H-1,2,4-Benzothiadiazine-3-carboxylicacid, 1,1-dioxide1,1-dioxo-2H-11,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxylic acidBRN 0987786SCHEMBL64310702H-1,2,4-Benzothiadiazine-3-carboxylic acid, 1,1-dioxide
Show more names
CS-00920631,1-dioxo-2H-1|E?,2,4-benzothiadiazine-3-carboxylic acid2h-1,2,4-benzothiadiazine-3-carboxylic acid 1,1-dioxide1,1-Dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-3-carboxylic acid
Database identifiers
- CAS
57864-78-5- PubChem CID
- 198367
- DTXSID
DTXSID10206576
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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