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Home > Nitro Compounds > 88428-02-8
88428-02-8 | 2H-1,3-Thiazine, tetrahydro-2-(nitromethylene)-3-(octylsulfonyl)-
CAS No: 88428-02-8 Catalog No: AG004HNF MDL No:
Product Description
Catalog Number:
AG004HNF
Chemical Name:
2H-1,3-Thiazine, tetrahydro-2-(nitromethylene)-3-(octylsulfonyl)-
CAS Number:
88428-02-8
Molecular Formula:
C13H24N2O4S2
Molecular Weight:
336.4707
IUPAC Name:
2-(nitromethylidene)-3-octylsulfonyl-1,3-thiazinane
InChI:
InChI=1S/C13H24N2O4S2/c1-2-3-4-5-6-7-11-21(18,19)14-9-8-10-20-13(14)12-15(16)17/h12H,2-11H2,1H3
InChI Key:
MXOPYJZJACTHRZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCS(=O)(=O)N1CCCSC1=C[N+](=O)[O-]
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.118g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.465g/mol
Monoisotopic Mass:
336.118g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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