6-methyl-4-oxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
Basic information
- CAS
120279-88-1- Standard SMILES
CC1CC(=O)c2cc(S(N)(=O)=O)sc2S1- InChIKey
QMNAQPMXDMLOLD-UHFFFAOYSA-N- Molecular formula
- C8H9NO3S3
- Average molar mass
- 263.4 g/mol
- Monoisotopic mass
- 262.97445667
Names & identifiers
- Preferred name
- 6-methyl-4-oxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
- IUPAC
- 6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide
- English name
- 6-Methyl-4-oxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
- Molecular formula
- C8H9NO3S3
- Molecular weight
- 263.36
Names & synonyms
6-Methyl-4-oxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamideDTXSID10440438EC 601-694-36-Methyl-4-oxo-5,6-dihydro-4H-thieno(2,3-b)thiopyran-2-sulfonamide5,6-DIHYDRO-6-METHYL-4-OXO-4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE5,6-Dihydro-6-methyl-4-oxo-4H-thieno(2,3-b)thiopyran-2-sulfonamideRefChem:543918DTXCID20391260601-694-3120279-88-16-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide(6S)-6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide
Show more names
DORZALAMIDE INTERMEDIATE(+/-)-6-Methyl-4-oxo-5,6-dihydro-4H-5,6-DIHYDRO-6-METHYL-THIENO[2,3-B]THIOPYRAN-4-ONE-2-SULFONAMIDE6-Methyl-4-oxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfo...6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-one 7,7-dioxide6-Methyl-4-oxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl sulfite4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 5,6-dihydro-6-methyl-4-oxo-"5,6-Dihydro-6-methyl-4-oxo-4H-thieno[2,3-b]thiopyran-2-sulfonamide"
6-Methyl-4-oxo-5,6-dihydro-4H-thieno-[2,3-b]thiopyran-2-sulfonamide1383784-43-7SCHEMBL2351369AKOS015898689AC-23883NS00006506H626126-Methyl-4-oxo-5,6-dihydro-4H-thieno[2,3-beta]thiopyran-2-sulfonamide
Database identifiers
- CAS
120279-88-1- PubChem CID
- 10467945
- DTXSID
DTXSID10440438- EC Number
- 601-694-3
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 520.6 · 520.6±60.0 °C(Predicted)
- Density
- 1.543 · 1.543
- storage temp.
- 2 · 2-8°C
- solubility
- Ethyl Acetate (Sparingly), Methanol
- form
- Solid
- pka
- 9.63 · 9.63±0.40(Predicted)
- color
- Tan
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- REACH Registrations
- Active
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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
Regulatory InformationREACH registered substance: 6-methyl-4-oxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide (EC: 601-694-3)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses6-Methyl-4-oxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide is an intermediate of Dorzolamide Hydrochloride (D535100), a carbonic anhydrase inhibitor. Antiglaucoma agent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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