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Home > Nitro Compounds > 88428-37-9
88428-37-9 | 2H-1,3-Thiazine, tetrahydro-2-(nitromethylene)-3-(pentylsulfonyl)-
CAS No: 88428-37-9 Catalog No: AG004HNB MDL No:
Product Description
Catalog Number:
AG004HNB
Chemical Name:
2H-1,3-Thiazine, tetrahydro-2-(nitromethylene)-3-(pentylsulfonyl)-
CAS Number:
88428-37-9
Molecular Formula:
C10H18N2O4S2
Molecular Weight:
294.3909
IUPAC Name:
2-(nitromethylidene)-3-pentylsulfonyl-1,3-thiazinane
InChI:
InChI=1S/C10H18N2O4S2/c1-2-3-4-8-18(15,16)11-6-5-7-17-10(11)9-12(13)14/h9H,2-8H2,1H3
InChI Key:
LOWMGUIPSMTMHY-UHFFFAOYSA-N
SMILES:
CCCCCS(=O)(=O)N1CCCSC1=C[N+](=O)[O-]
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.384g/mol
Monoisotopic Mass:
294.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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