Ethanethiol, 2-(5-(3-bromo-2-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)
Basic information
- CAS
41287-03-0- Standard SMILES
O=S(=O)(O)SCCNCCCCCOc1ncccc1Br- InChIKey
VSAKIIBISLYNOP-UHFFFAOYSA-N- Molecular formula
- C12H19BrN2O4S2
- Average molar mass
- 399.3 g/mol
- Monoisotopic mass
- 397.99696
Names & identifiers
- Preferred name
- Ethanethiol, 2-(5-(3-bromo-2-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 3-bromo-2-[5-(2-sulfosulfanylethylamino)pentoxy]pyridine
- English name
- 2-[5-(3-Bromo-2-pyridyloxy)pentyl]aminoethanethiol sulfate
- Molecular weight
- 0
Names & synonyms
BRN 149342441287-03-0S-2-((5-(3-Bromo-2-pyridyloxy)pentyl)amino)ethyl hydrogen thiosulfateEthanethiosulfuric acid, 2-(5-(3-bromo-2-pyridyloxy)pentyl)amino-Thiosulfuric acid, S-(2-((5-(3-bromo-2-pyridyloxy)pentyl)amino)ethyl) esterEthanethiol, 2-(5-(3-bromo-2-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)RefChem:340468s-[2-({5-[(3-bromopyridin-2-yl)oxy]pentyl}amino)ethyl] hydrogen sulfurothioateDTXSID909615552-[5-(3-Bromo-2-pyridyloxy)pentyl]aminoethanethiol sulfate
Database identifiers
- CAS
41287-03-0- PubChem CID
- 218745
- DTXSID
DTXSID90961555- Nikkaji
- J77.473A
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
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Related reactions
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Compound notes
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