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Home > Nitro Compounds > 24588-74-7
24588-74-7 | 1,3-Dithiane, 2-(4-nitrophenyl)-
CAS No: 24588-74-7 Catalog No: AG002ONL MDL No:
Product Description
Catalog Number:
AG002ONL
Chemical Name:
1,3-Dithiane, 2-(4-nitrophenyl)-
CAS Number:
24588-74-7
Molecular Formula:
C10H11NO2S2
Molecular Weight:
241.3298
IUPAC Name:
2-(4-nitrophenyl)-1,3-dithiane
InChI:
InChI=1S/C10H11NO2S2/c12-11(13)9-4-2-8(3-5-9)10-14-6-1-7-15-10/h2-5,10H,1,6-7H2
InChI Key:
LVGOSUIURNNECQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1SCCCS1
NSC Number:
132842
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.323g/mol
Monoisotopic Mass:
241.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| 2-(4-Nitro-phen-yl)-1,3-dithiane. | Acta crystallographica. Section E, Structure reports online 20090201 |
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