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Home > Nitro Compounds > 1346557-80-9
1346557-80-9 | 2-(nitromethylidene)-1,3-thiazinane
CAS No: 1346557-80-9 Catalog No: AG019YCB MDL No:
Product Description
Catalog Number:
AG019YCB
Chemical Name:
2-(nitromethylidene)-1,3-thiazinane
CAS Number:
1346557-80-9
Molecular Formula:
C5H8N2O2S
Molecular Weight:
160.1942
IUPAC Name:
2-(nitromethylidene)-1,3-thiazinane
InChI:
InChI=1S/C5H8N2O2S/c8-7(9)4-5-6-2-1-3-10-5/h4,6H,1-3H2
InChI Key:
LZTIMERBDGGAJD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=C1NCCCS1
EC Number:
611-751-4
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.031g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.191g/mol
Monoisotopic Mass:
160.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Discovery of imidacloprid and further developments from strategic molecular designs. | Journal of agricultural and food chemistry 20110413 |
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