3-(1-oxidopyridin-1-ium-4-yl)propane-1-thiol;2,4,6-trinitrophenol
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3-(1-oxidopyridin-1-ium-4-yl)propane-1-thiol;2,4,6-trinitrophenol
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CAS No:
69603-72-1
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Formula:
C14H14N4O8S
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Chemical Name:
3-(1-oxidopyridin-1-ium-4-yl)propane-1-thiol;2,4,6-trinitrophenol
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Synonyms:
69603-72-1;NSC111275;DTXSID70296751;NSC-111275;3-(1-oxidopyridin-4-yl)propane-1-thiol;DS-004498;2,4,6-Trinitrophenol--3-(1-oxo-1lambda~5~-pyridin-4-yl)propane-1-thiol (1/1)
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CAS No:
3-(1-oxidopyridin-1-ium-4-yl)propane-1-thiol;2,4,6-trinitrophenol Basic Attributes
398.35 g/mol
398.05323459 g/mol
111275
DTXSID70296751
Computed Properties
Molecular Weight:398.35
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:398.05323459
Monoisotopic Mass:398.05323459
Topological Polar Surface Area:184
Heavy Atom Count:27
Complexity:394
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
Guide of 3-(1-oxidopyridin-1-ium-4-yl)propane-1-thiol;2,4,6-trinitrophenol
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