Basic information
- CAS
104096-20-0- Standard SMILES
Cc1cc(S(N)(=O)=O)sc1S(N)(=O)=O- InChIKey
NTNGVSKXRZHHOA-UHFFFAOYSA-N- Molecular formula
- C5H8N2O4S3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 255.96462026
Names & identifiers
- Preferred name
- 3-Methylthiophene-2,5-disulfonamide
- IUPAC
- 3-methylthiophene-2,5-disulfonamide
Names & synonyms
3-Methylthiophene-2,5-disulfonamide3-Methyl-2,5-thiophenedisulfonamide104096-20-0NTNGVSKXRZHHOA-UHFFFAOYSA-NDTXSID6012953073-Methyl-2,5-thiophenedisulfonamide #
Database identifiers
- CAS
104096-20-0- PubChem CID
- 565755
- DTXSID
DTXSID601295307- Nikkaji
- J1.398.755F
Properties
Computed structural properties
- XLogP
- -0.2
- 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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