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126218-46-0 | Pyridine, 2-[[4-(aminooxy)-2-butenyl]dithio]-3-nitro-, (E)- (9CI)
CAS No: 126218-46-0 Catalog No: AG000SCO MDL No:
Product Description
Catalog Number:
AG000SCO
Chemical Name:
Pyridine, 2-[[4-(aminooxy)-2-butenyl]dithio]-3-nitro-, (E)- (9CI)
CAS Number:
126218-46-0
Molecular Formula:
C9H11N3O3S2
Molecular Weight:
273.3319
IUPAC Name:
O-[4-[(3-nitropyridin-2-yl)disulfanyl]but-2-enyl]hydroxylamine
InChI:
InChI=1S/C9H11N3O3S2/c10-15-6-1-2-7-16-17-9-8(12(13)14)4-3-5-11-9/h1-5H,6-7,10H2
InChI Key:
RFSIAWUZOYHFJG-UHFFFAOYSA-N
SMILES:
NOC/C=C/CSSc1ncccc1[N+](=O)[O-]
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.024g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.325g/mol
Monoisotopic Mass:
273.024g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| New insights into the design of inhibitors of human S-adenosylmethionine decarboxylase: studies of adenine C8 substitution in structural analogues of S-adenosylmethionine. | Journal of medicinal chemistry 20090312 |
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