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Home > Nitro Compounds > 138206-22-1
138206-22-1 | 1,3-Dithiole-2-thione, 4,5-bis[(2,4-dinitrophenyl)thio]-
CAS No: 138206-22-1 Catalog No: AG0018A5 MDL No:
Product Description
Catalog Number:
AG0018A5
Chemical Name:
1,3-Dithiole-2-thione, 4,5-bis[(2,4-dinitrophenyl)thio]-
CAS Number:
138206-22-1
Molecular Formula:
C15H6N4O8S5
Molecular Weight:
530.5551
IUPAC Name:
4,5-bis[(2,4-dinitrophenyl)sulfanyl]-1,3-dithiole-2-thione
InChI:
InChI=1S/C15H6N4O8S5/c20-16(21)7-1-3-11(9(5-7)18(24)25)29-13-14(32-15(28)31-13)30-12-4-2-8(17(22)23)6-10(12)19(26)27/h1-6H
InChI Key:
DNEDCMFOUJGGLY-UHFFFAOYSA-N
SMILES:
S=c1sc(c(s1)Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
785
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
529.879g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
530.533g/mol
Monoisotopic Mass:
529.879g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
317A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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