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Home > Nitro Compounds > 88427-98-9
88427-98-9 | 2H-1,3-Thiazine, tetrahydro-3-(methylsulfonyl)-2-(nitromethylene)-
CAS No: 88427-98-9 Catalog No: AG004KCM MDL No:
Product Description
Catalog Number:
AG004KCM
Chemical Name:
2H-1,3-Thiazine, tetrahydro-3-(methylsulfonyl)-2-(nitromethylene)-
CAS Number:
88427-98-9
Molecular Formula:
C6H10N2O4S2
Molecular Weight:
238.2846
IUPAC Name:
3-methylsulfonyl-2-(nitromethylidene)-1,3-thiazinane
InChI:
InChI=1S/C6H10N2O4S2/c1-14(11,12)7-3-2-4-13-6(7)5-8(9)10/h5H,2-4H2,1H3
InChI Key:
VVFZHJNINZSFBM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=C1SCCCN1S(=O)(=O)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.008g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.276g/mol
Monoisotopic Mass:
238.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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