Ethanethiol, 2-(5-(5-iodo-2-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)
Basic information
- CAS
41287-07-4- Standard SMILES
O=S(=O)(O)SCCNCCCCCOc1ccc(I)cn1- InChIKey
IRGXGIZCHCTASM-UHFFFAOYSA-N- Molecular formula
- C12H19IN2O4S2
- Average molar mass
- 446.3 g/mol
- Monoisotopic mass
- 445.9831
Names & identifiers
- Preferred name
- Ethanethiol, 2-(5-(5-iodo-2-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 5-iodo-2-[5-(2-sulfosulfanylethylamino)pentoxy]pyridine
Names & synonyms
BRN 1491935Ethanethiol, 2-(5-(5-iodo-2-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)41287-07-4DTXSID00194195Ethanethiosulfuric acid, 2-(5-(5-iodo-2-pyridyloxy)pentyl)amino-S-2-((5-(5-Iodo-2-pyridyloxy)pentyl)amino)ethyl hydrogen thiosulfateThiosulfuric acid, S-(2-((5-(5-iodo-2-pyridyloxy)pentyl)amino)ethyl) esterRefChem:340484DTXCID10116686s-[2-({5-[(5-iodopyridin-2-yl)oxy]pentyl}amino)ethyl] hydrogen sulfurothioate
Database identifiers
- CAS
41287-07-4- PubChem CID
- 218748
- DTXSID
DTXSID00194195- Nikkaji
- J87.767K
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…