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Home > Nitro Compounds > 79236-82-1
79236-82-1 | 2,5-bis[(2,4-dinitrophenyl)sulfanyl]-1,3,4-thiadiazole
CAS No: 79236-82-1 Catalog No: AG0059XX MDL No:
Product Description
Catalog Number:
AG0059XX
Chemical Name:
2,5-bis[(2,4-dinitrophenyl)sulfanyl]-1,3,4-thiadiazole
CAS Number:
79236-82-1
Molecular Formula:
C14H6N6O8S3
Molecular Weight:
482.4278
IUPAC Name:
2,5-bis[(2,4-dinitrophenyl)sulfanyl]-1,3,4-thiadiazole
InChI:
InChI=1S/C14H6N6O8S3/c21-17(22)7-1-3-11(9(5-7)19(25)26)29-13-15-16-14(31-13)30-12-4-2-8(18(23)24)6-10(12)20(27)28/h1-6H
InChI Key:
FZLUPDWJGIASMX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Sc1nnc(s1)Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.941g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
482.416g/mol
Monoisotopic Mass:
481.941g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
288A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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