4-Morpholineethanethiol, 4-methylbenzenesulfonate (1:1)
Basic information
- CAS
72361-43-4- Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.SCCN1CCOCC1- InChIKey
HLVPNCBGGILEDR-UHFFFAOYSA-N- Molecular formula
- C13H21NO4S2
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.0912005
Names & identifiers
- Preferred name
- 4-Morpholineethanethiol, 4-methylbenzenesulfonate (1:1)
- IUPAC
- 4-methylbenzenesulfonic acid;2-morpholin-4-ylethanethiol
Names & synonyms
4-Morpholineethanethiol, 4-methylbenzenesulfonate (salt)2-Morpholinoethanethiol, p-toluenesulfonic acid salt4-Morpholineethanethiol, 4-methylbenzenesulfonate (1:1)DTXSID4072572RefChem:99985DTXCID204730372361-43-4HLVPNCBGGILEDR-UHFFFAOYSA-N4-Methylbenzene-1-sulfonic acid--2-(morpholin-4-yl)ethane-1-thiol (1/1)
Database identifiers
- CAS
72361-43-4- PubChem CID
- 44154342
- DTXSID
DTXSID4072572
Properties
Computed structural properties
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 280
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Morpholineethanethiol, 4-methylbenzenesulfonate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…