Basic information
- CAS
359-85-3- Standard SMILES
O=S1(=O)N=CNc2ccccc21- InChIKey
BBNGVMNBBLPZIR-UHFFFAOYSA-N- Molecular formula
- C7H6N2O2S
- Average molar mass
- 182.2 g/mol
- Monoisotopic mass
- 182.01499861
Names & identifiers
- Preferred name
- 4H-1,2,4-Benzothiadiazine, 1,1-dioxide
- IUPAC
- 4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
- English name
- 2H-1,2,4-Benzothiadiazine 1,1-dioxide
- Molecular formula
- C7H6N2O2S
- Molecular weight
- 182.2
Names & synonyms
359-85-32H-1,2,4-Benzothiadiazine-1,1-dioxideDTXSID20189467RefChem:912847DTXCID501119584H-1,2,4-Benzothiadiazine, 1,1-dioxide4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide2H-Benzo[e][1,2,4]thiadiazine 1,1-dioxide4H-1,2,4-benzothiadiazine 1,1-dioxide2H-1,2,4-Benzothiadiazine, 1,1-dioxide4H-1lambda6,2,4-benzothiadiazine 1,1-dioxideCHEMBL3984047
Show more names
2H-1,2,4-Benzothiadiazine-1,1-dioneOprea1_7308812h-1,2,4-benzothiadiazine 1,1-dioxide2H-1,2,4-Benzotiodiazina 1,1-diossido [Italian]starbld00419932H-1,2,4-Benzotiodiazina 1,1-diossido2H-1$l^{6},2,4-benzothiadiazine-1,1-dioneSCHEMBL206961
Database identifiers
- CAS
359-85-3- PubChem CID
- 67756
- DTXSID
DTXSID20189467- ChEMBL
CHEMBL3984047
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 291
Experimental & physicochemical properties
LogP0.18
Physicochemical properties
- Melting point
- 226 · 226-228 °C
- Boiling point
- 380.1 · 380.1±25.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 8.95 · 8.95±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
武汉布林科技有限公司3456065315 13260619011 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海诚合医药科技有限公司021-021-54382182 18601603956 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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