Basic information
- CAS
1025-75-8- Standard SMILES
CC1=NS(=O)(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1- InChIKey
UYVDLZFIIVODJV-UHFFFAOYSA-N- Molecular formula
- C8H8ClN3O4S2
- Average molar mass
- 309.8 g/mol
- Monoisotopic mass
- 308.9644758
Names & identifiers
- Preferred name
- 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-methyl-, 1,1-dioxide
- IUPAC
- 6-chloro-3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
- English name
- Hydrochlorothiazide Impurity G
- Molecular formula
- C8H8ClN3O4S2
- Molecular weight
- 309.75
Names & synonyms
1025-75-82H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-methyl-, 1,1-dioxide6-Chloro-3-methyl-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxideDTXSID10145198RefChem:267633DTXCID5067689Hydrochlorothiazide Impurity GHydrochlorothiazide Impurity 246-Chloro-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide6-chloro-3-methyl-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxideHydrochlorothiazide Impurity 45
Database identifiers
- CAS
1025-75-8- PubChem CID
- 70562
- DTXSID
DTXSID10145198
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 574
Experimental & physicochemical properties
LogP0.03
Physicochemical properties
- Melting point
- 332 °C · 332 °C (decomp)(Solv: water (7732-18-5))
- Boiling point
- 594.3 · 594.3±60.0 °C(Predicted)
- Density
- 1.93 · 1.93±0.1 g/cm3(Predicted)
- pka
- 9.63 · 9.63±0.20(Predicted)
Chemistry & industry
Suppliers5 total
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
石家庄耀博医药科技有限公司15633056635 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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