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Home > Nitro Compounds > 88428-03-9
88428-03-9 | 2H-1,3-Thiazine, 3-(dodecylsulfonyl)tetrahydro-2-(nitromethylene)-
CAS No: 88428-03-9 Catalog No: AG004HNE MDL No:
Product Description
Catalog Number:
AG004HNE
Chemical Name:
2H-1,3-Thiazine, 3-(dodecylsulfonyl)tetrahydro-2-(nitromethylene)-
CAS Number:
88428-03-9
Molecular Formula:
C17H32N2O4S2
Molecular Weight:
392.5770
IUPAC Name:
3-dodecylsulfonyl-2-(nitromethylidene)-1,3-thiazinane
InChI:
InChI=1S/C17H32N2O4S2/c1-2-3-4-5-6-7-8-9-10-11-15-25(22,23)18-13-12-14-24-17(18)16-19(20)21/h16H,2-15H2,1H3
InChI Key:
IELCYBOQUKFRRT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCS(=O)(=O)N1CCCSC1=C[N+](=O)[O-]
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.18g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.573g/mol
Monoisotopic Mass:
392.18g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.9
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