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Home > Nitro Compounds > 860610-55-5
860610-55-5 | 2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-N'-(2-nitrobenzenesulfonyl)acetohydrazide
CAS No: 860610-55-5 Catalog No: AG00IN6H MDL No:MFCD03305389
Product Description
Catalog Number:
AG00IN6H
Chemical Name:
2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-N'-(2-nitrobenzenesulfonyl)acetohydrazide
CAS Number:
860610-55-5
Molecular Formula:
C12H16N4O7S2
Molecular Weight:
392.4080
MDL Number:
MFCD03305389
IUPAC Name:
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide
InChI:
InChI=1S/C12H16N4O7S2/c17-12(9-15-5-7-24(20,21)8-6-15)13-14-25(22,23)11-4-2-1-3-10(11)16(18)19/h1-4,14H,5-9H2,(H,13,17)
InChI Key:
ARXXFHSIXWUEGJ-UHFFFAOYSA-N
SMILES:
O=C(CN1CCS(=O)(=O)CC1)NNS(=O)(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
691
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.046g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
392.401g/mol
Monoisotopic Mass:
392.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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