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Home > Nitro Compounds > 89846-91-3
89846-91-3 | Acetamide, 2-[(2,4-dinitrophenyl)dithio]-N-methyl-
CAS No: 89846-91-3 Catalog No: AG003XGH MDL No:
Product Description
Catalog Number:
AG003XGH
Chemical Name:
Acetamide, 2-[(2,4-dinitrophenyl)dithio]-N-methyl-
CAS Number:
89846-91-3
Molecular Formula:
C9H9N3O5S2
Molecular Weight:
303.3149
IUPAC Name:
2-[(2,4-dinitrophenyl)disulfanyl]-N-methylacetamide
InChI:
InChI=1S/C9H9N3O5S2/c1-10-9(13)5-18-19-8-3-2-6(11(14)15)4-7(8)12(16)17/h2-4H,5H2,1H3,(H,10,13)
InChI Key:
YFABWEJMCZSKSF-UHFFFAOYSA-N
SMILES:
CNC(=O)CSSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.998g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.307g/mol
Monoisotopic Mass:
302.998g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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