Basic information
- CAS
1146294-71-4- Standard SMILES
Cc1oc(C(=O)O)cc1S(=O)(=O)N(C)C- InChIKey
YDYSZRWIHKNHPB-UHFFFAOYSA-N- Molecular formula
- C8H11NO5S
- Average molar mass
- 233.24 g/mol
- Monoisotopic mass
- 233.03579362
Names & identifiers
- Preferred name
- 4-(Dimethylsulfamoyl)-5-methylfuran-2-carboxylic acid
- IUPAC
- 4-(dimethylsulfamoyl)-5-methylfuran-2-carboxylic acid
Names & synonyms
4-(dimethylsulfamoyl)-5-methylfuran-2-carboxylic acid1146294-71-4WVB29471AKOS012098901CS-0230496EN300-104191G461254-(dimethylsulfamoyl)-5-methylfuran-2-carboxylicacid4-(dimethylsulfamoyl)-5-methyl-furan-2-carboxylic acidZ1020825620
Database identifiers
- CAS
1146294-71-4- PubChem CID
- 39733398
- EC Number
- 141-792-9
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 345
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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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