Basic information
- CAS
89181-71-5- Standard SMILES
Cc1sc(S(N)(=O)=O)cc1S(N)(=O)=O- InChIKey
WGEMYMCGGYWLQB-UHFFFAOYSA-N- Molecular formula
- C5H8N2O4S3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 255.96462026
Names & identifiers
- Preferred name
- 2,4-Thiophenedisulfonamide, 5-methyl-
- IUPAC
- 5-methylthiophene-2,4-disulfonamide
Names & synonyms
2,4-Thiophenedisulfonamide, 5-methyl-5-Methyl-2,4-thiophenedisulfonamideBRN 023417989181-71-54-18-00-06729 (Beilstein Handbook Reference)DTXSID90237565RefChem:246986DTXCID40160056WGEMYMCGGYWLQB-UHFFFAOYSA-NMethyl-5 disulfonamide-2,4 thiopheneMethyl-5 disulfonamide-2,4 thiophene [French]5-methylthiophene-2,4-disulfonamide
Database identifiers
- CAS
89181-71-5- PubChem CID
- 600438
- DTXSID
DTXSID90237565- Nikkaji
- J59.666C
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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