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Home > Nitro Compounds > 121579-06-4
121579-06-4 | Benzothiazole, 2,2'-dithiobis[6-nitro-
CAS No: 121579-06-4 Catalog No: AG0015BX MDL No:
Product Description
Catalog Number:
AG0015BX
Chemical Name:
Benzothiazole, 2,2'-dithiobis[6-nitro-
CAS Number:
121579-06-4
Molecular Formula:
C14H6N4O4S4
Molecular Weight:
422.4818
IUPAC Name:
6-nitro-2-[(6-nitro-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
InChI:
InChI=1S/C14H6N4O4S4/c19-17(20)7-1-3-9-11(5-7)23-13(15-9)25-26-14-16-10-4-2-8(18(21)22)6-12(10)24-14/h1-6H
InChI Key:
MFCGAIPEIISLHT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.927g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.466g/mol
Monoisotopic Mass:
421.927g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
225A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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