Basic information
- CAS
411210-96-3- Standard SMILES
O=C1NNS(=O)(=O)c2ccccc21- InChIKey
QBHOTDZUWLHTGL-UHFFFAOYSA-N- Molecular formula
- C7H6N2O3S
- Average molar mass
- 198.2 g/mol
- Monoisotopic mass
- 198.00991323
Names & identifiers
- Preferred name
- 3,4-dihydro-2H-1lambda6,2,3-benzothiadiazine-1,1,4-trione
- IUPAC
- 1,1-dioxo-2,3-dihydro-1λ6,2,3-benzothiadiazin-4-one
Names & synonyms
411210-96-33,4-dihydro-2H-1lambda6,2,3-benzothiadiazine-1,1,4-trioneRefChem:486143973-594-0SPR_1SCHEMBL2208015SCHEMBL30524898BDBM35997QBHOTDZUWLHTGL-UHFFFAOYSA-NHMS1788K17AKOS034467220EN300-17457
Show more names
4H-1,2,3-Benzothiadiazin-4-(3H)one, 1,1-dioxideZ569420661,1-dioxo-2,3-dihydro-1$l^{6},2,3-benzothiadiazin-4-one1,1-Dioxo-2,3-dihydro-1H-1lambda6-benzo[e][1,2,3]thiadiazin-4-one1,4-dioxo-1,2,3,4-tetrahydro-1$l^{4},2,3-benzothiadiazin-1-ium-1-olate
Database identifiers
- CAS
411210-96-3- PubChem CID
- 456809
- EC Number
- 973-594-0
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 319
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, P317, 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
4 records
Compound notes
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