Basic information
- CAS
1030-84-8- Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.NC(=O)CCNCCS- InChIKey
VKWZCEGDRJOLKT-UHFFFAOYSA-N- Molecular formula
- C12H20N2O4S2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.08644947
Names & identifiers
- Preferred name
- 3-(2-Mercaptoethyl)aminopropionamide tosylate
- IUPAC
- 4-methylbenzenesulfonic acid;3-(2-sulfanylethylamino)propanamide
Names & synonyms
1030-84-8NSC-124606WR-25293-(2-Mercaptoethyl)aminopropionamide tosylate3-((2-Mercaptoethyl)amino)propanamide mono(4-methylbenzenesulfonate) (salt)UNII-WBX2Y30M92SCHEMBL7893473-(2-Mercaptoethylamino)propionamide p-toluenesulofnateDTXSID00908153NSC124606NSC 124606Propoamide, mono-p-tolunesulfonate (salt)
Show more names
Propanamide, mono(4-methylbenzenesulfonate) (salt)3-((2-mercaptoethyl)amino)propanamide 4-methylbenzenesulfonate3-[(2-Sulfanylethyl)amino]propanimidic acid--4-methylbenzene-1-sulfonic acid (1/1)PROPANAMIDE, 3-((2-MERCAPTOETHYL)AMINO)-, 4-METHYLBENZENESULFONATE (1:1)
Database identifiers
- CAS
1030-84-8- PubChem CID
- 13938
- DTXSID
DTXSID00908153- UNII
- WBX2Y30M92
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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