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23256-30-6 | 4-Thiomorpholinamine, 3-methyl-N-[(5-nitro-2-furanyl)methylene]-, 1,1-dioxide
CAS No: 23256-30-6 Catalog No: AG002MOZ MDL No:
Product Description
Catalog Number:
AG002MOZ
Chemical Name:
4-Thiomorpholinamine, 3-methyl-N-[(5-nitro-2-furanyl)methylene]-, 1,1-dioxide
CAS Number:
23256-30-6
Molecular Formula:
C10H13N3O5S
Molecular Weight:
287.2923
IUPAC Name:
(E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine
InChI:
InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+
InChI Key:
ARFHIAQFJWUCFH-IZZDOVSWSA-N
SMILES:
CC1CS(=O)(=O)CCN1N=Cc1ccc(o1)[N+](=O)[O-]
EC Number:
245-531-0
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
287.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.29g/mol
Monoisotopic Mass:
287.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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