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Home > Nitro Compounds > 88428-38-0
88428-38-0 | 2H-1,3-Thiazine, tetrahydro-2-(nitromethylene)-3-(nonylsulfonyl)-
CAS No: 88428-38-0 Catalog No: AG004HNA MDL No:
Product Description
Catalog Number:
AG004HNA
Chemical Name:
2H-1,3-Thiazine, tetrahydro-2-(nitromethylene)-3-(nonylsulfonyl)-
CAS Number:
88428-38-0
Molecular Formula:
C14H26N2O4S2
Molecular Weight:
350.4972
IUPAC Name:
2-(nitromethylidene)-3-nonylsulfonyl-1,3-thiazinane
InChI:
InChI=1S/C14H26N2O4S2/c1-2-3-4-5-6-7-8-12-22(19,20)15-10-9-11-21-14(15)13-16(17)18/h13H,2-12H2,1H3
InChI Key:
DVSLVXJVYJXHRT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCS(=O)(=O)N1CCCSC1=C[N+](=O)[O-]
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.133g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.492g/mol
Monoisotopic Mass:
350.133g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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