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Home > Nitro Compounds > 88428-21-1
88428-21-1 | 2H-1,3-Thiazine, 3-(heptylsulfonyl)tetrahydro-2-(nitromethylene)-
CAS No: 88428-21-1 Catalog No: AG004HNC MDL No:
Product Description
Catalog Number:
AG004HNC
Chemical Name:
2H-1,3-Thiazine, 3-(heptylsulfonyl)tetrahydro-2-(nitromethylene)-
CAS Number:
88428-21-1
Molecular Formula:
C12H22N2O4S2
Molecular Weight:
322.4441
IUPAC Name:
3-heptylsulfonyl-2-(nitromethylidene)-1,3-thiazinane
InChI:
InChI=1S/C12H22N2O4S2/c1-2-3-4-5-6-10-20(17,18)13-8-7-9-19-12(13)11-14(15)16/h11H,2-10H2,1H3
InChI Key:
DRAUYJZLMHAJSE-UHFFFAOYSA-N
SMILES:
CCCCCCCS(=O)(=O)N1CCCSC1=C[N+](=O)[O-]
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.102g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.438g/mol
Monoisotopic Mass:
322.102g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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