Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, hydrochloride
Basic information
- CAS
139131-34-3- Standard SMILES
Cc1ccc(S(=O)(=O)SCCN(C)C)cc1.Cl- InChIKey
JKCBYOVOIQJYNE-UHFFFAOYSA-N- Molecular formula
- C11H18ClNO2S2
- Average molar mass
- 295.9 g/mol
- Monoisotopic mass
- 295.0467489
Names & identifiers
- Preferred name
- Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, hydrochloride
- IUPAC
- N,N-dimethyl-2-(4-methylphenyl)sulfonylsulfanylethanamine;hydrochloride
Names & synonyms
Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, hydrochloride139131-34-3DTXSID10160927S-[2-(Dimethylamino)ethyl] 4-methylbenzene-1-sulfonothioate--hydrogen chloride (1/1)
Database identifiers
- CAS
139131-34-3- PubChem CID
- 178530
- DTXSID
DTXSID10160927
Properties
Computed structural properties
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…