Ethanethiol, 2-(3-(3-nitro-2-pyridyloxy)propyl)amino-, hydrogen sulfate (ester)
Basic information
- CAS
41286-97-9- Standard SMILES
O=[N+]([O-])c1cccnc1OCCCNCCSS(=O)(=O)O- InChIKey
BYCNQOVVSOKZEP-UHFFFAOYSA-N- Molecular formula
- C10H15N3O6S2
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.04022755
Names & identifiers
- Preferred name
- Ethanethiol, 2-(3-(3-nitro-2-pyridyloxy)propyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 3-nitro-2-[3-(2-sulfosulfanylethylamino)propoxy]pyridine
- English name
- 2-[3-(3-Nitro-2-pyridyloxy)propyl]aminoethanethiol sulfate
- Molecular formula
- C10H15N3O6S2
- Molecular weight
- 337.37
Names & synonyms
BRN 149938141286-97-9Ethanethiol, 2-(3-(3-nitro-2-pyridyloxy)propyl)amino-, hydrogen sulfate (ester)DTXSID80194193Ethanethiosulfuric acid, 2-(3-(3-nitro-2-pyridyloxy)propyl)amino-S-2-((3-(3-Nitro-2-pyridyloxy)propyl)amino)ethyl hydrogen thiosulfateThiosulfuric acid, S-(2-((3-(3-nitro-2-pyridyloxy)propyl)amino)ethyl) esterRefChem:340376DTXCID90116684s-[2-({3-[(3-nitropyridin-2-yl)oxy]propyl}amino)ethyl] hydrogen sulfurothioate2-[3-(3-Nitro-2-pyridyloxy)propyl]aminoethanethiol sulfateReaxys ID: 1499381
Show more names
Thiosulfuric acid (H2S2O3), S-[2-[[3-[(3-nitro-2-pyridinyl)oxy]propyl]amino]ethyl] ester
Database identifiers
- CAS
41286-97-9- PubChem CID
- 218740
- DTXSID
DTXSID80194193- Nikkaji
- J87.801D
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Density
- 1.493 · 1.493±0.06 g/cm3(Predicted)
- pka
- -4.42 · -4.42±0.30(Predicted)
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Related reactions
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Compound notes
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