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Home > Nitro Compounds > 88428-01-7
88428-01-7 | 2H-1,3-Thiazine, 3-(butylsulfonyl)tetrahydro-2-(nitromethylene)-
CAS No: 88428-01-7 Catalog No: AG004KCL MDL No:
Product Description
Catalog Number:
AG004KCL
Chemical Name:
2H-1,3-Thiazine, 3-(butylsulfonyl)tetrahydro-2-(nitromethylene)-
CAS Number:
88428-01-7
Molecular Formula:
C9H16N2O4S2
Molecular Weight:
280.3643
IUPAC Name:
3-butylsulfonyl-2-(nitromethylidene)-1,3-thiazinane
InChI:
InChI=1S/C9H16N2O4S2/c1-2-3-7-17(14,15)10-5-4-6-16-9(10)8-11(12)13/h8H,2-7H2,1H3
InChI Key:
QNXZNCAZMMICJU-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)N1CCCSC1=C[N+](=O)[O-]
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.357g/mol
Monoisotopic Mass:
280.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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