Basic information
- CAS
126218-45-9- Standard SMILES
Cl.NOCCCCSSc1ncccc1[N+](=O)[O-]- InChIKey
ZAWBYEZTDOXVRM-UHFFFAOYSA-N- Molecular formula
- C9H14ClN3O3S2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.0165114
Overview
structure given in first source; RN given is for HCl
Names & identifiers
- Preferred name
- 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane
- IUPAC
- O-[4-[(3-nitro-2-pyridinyl)disulfanyl]butyl]hydroxylamine;hydrochloride
- English name
- 1-(aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane
- Molecular weight
- 0
Names & synonyms
126218-45-91-Anpdb1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butaneRefChem:746132-((4-(Aminooxy)butyl)dithio)-3-nitropyridine monohydrochlorideSCHEMBL234071DTXSID80925449O-[4-[(3-nitropyridin-2-yl)disulfanyl]butyl]hydroxylamine;hydrochloridePyridine, 2-((4-(aminooxy)butyl)dithio)-3-nitro-, monohydrochlorideO-{4-[(3-Nitropyridin-2-yl)disulfanyl]butyl}hydroxylamine--hydrogen chloride (1/1)
Database identifiers
- CAS
126218-45-9- PubChem CID
- 130863
- DTXSID
DTXSID80925449
Properties
Computed structural properties
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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