Basic information
- CAS
13338-02-8- Standard SMILES
CN1C(=O)NS(=O)(=O)c2ccccc21- InChIKey
RQCMUVKZNMGOOY-UHFFFAOYSA-N- Molecular formula
- C8H8N2O3S
- Average molar mass
- 212.23 g/mol
- Monoisotopic mass
- 212.0255633
Names & identifiers
- Preferred name
- 4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
- IUPAC
- 4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
Names & synonyms
13338-02-84-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trioneRefChem:525190960-440-2CHEMBL45210834-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione4-Methyl-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxideSCHEMBL6240349SCHEMBL16278502RQCMUVKZNMGOOY-UHFFFAOYSA-NNAA33802BDBM50519803
Show more names
EN300-226995G397004-methyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-oneZ22293288864-methyl-1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-one4-methyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide4-methyl-2 h -1,2,4-benzothiadiazin-3(4 h )-one 1,1-dioxide4-methyl-3,4-dihydro-2H-1|E?,2,4-benzothiadiazine-1,1,3-trione
Database identifiers
- CAS
13338-02-8- PubChem CID
- 11615432
- ChEMBL
CHEMBL4521083- EC Number
- 960-440-2
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 346
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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