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Home > Nitro Compounds > 88428-00-6
88428-00-6 | 2H-1,3-Thiazine, tetrahydro-2-(nitromethylene)-3-(propylsulfonyl)-
CAS No: 88428-00-6 Catalog No: AG004HNG MDL No:
Product Description
Catalog Number:
AG004HNG
Chemical Name:
2H-1,3-Thiazine, tetrahydro-2-(nitromethylene)-3-(propylsulfonyl)-
CAS Number:
88428-00-6
Molecular Formula:
C8H14N2O4S2
Molecular Weight:
266.3378
IUPAC Name:
2-(nitromethylidene)-3-propylsulfonyl-1,3-thiazinane
InChI:
InChI=1S/C8H14N2O4S2/c1-2-6-16(13,14)9-4-3-5-15-8(9)7-10(11)12/h7H,2-6H2,1H3
InChI Key:
FCDMMTWPROHOGX-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)N1CCCSC1=C[N+](=O)[O-]
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.039g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.33g/mol
Monoisotopic Mass:
266.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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