S-(2-Glycylamidoethyl)dithio-2-pyridine
Basic information
- CAS
137138-08-0- Standard SMILES
NCC(=O)NCCSSc1ccccn1- InChIKey
LDWRVJLMXSOYRV-UHFFFAOYSA-N- Molecular formula
- C9H13N3OS2
- Average molar mass
- 243.4 g/mol
- Monoisotopic mass
- 243.05000439
Names & identifiers
- Preferred name
- S-(2-Glycylamidoethyl)dithio-2-pyridine
- IUPAC
- 2-amino-N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide
- English name
- S-(2-Glycylamidoethyl)dithio-2-pyridine
- Molecular formula
- C9H13N3OS2
- Molecular weight
- 243.35
Names & synonyms
S-(2-Glycylamidoethyl)dithio-2-pyridine137138-08-0DTXSID50400278SGD-pyridineRefChem:180525DTXCID903511342-amino-N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide2-Amino-N-(2-(pyridin-2-yldisulfanyl)ethyl)acetamide2-Amino-N-[2-(2-pyridinyldithio)ethyl]acetamideSCHEMBL31456206N-{2-[(Pyridin-2-yl)disulfanyl]ethyl}glycinamideAcetamide, 2-amino-N-[2-(2-pyridinyldithio)ethyl]-
Database identifiers
- CAS
137138-08-0- PubChem CID
- 4174657
- DTXSID
DTXSID50400278
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 474.2 · 474.2±45.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 14.43 · 14.43±0.46(Predicted)
Chemistry & industry
Applications
UsesA sulfhydryl active reagent for modification of proteins.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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