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167281-18-7 | 2,1,3-Benzothiadiazole, 4,7-diiodo-
CAS No: 167281-18-7 Catalog No: AG001X99 MDL No:
Product Description
Catalog Number:
AG001X99
Chemical Name:
2,1,3-Benzothiadiazole, 4,7-diiodo-
CAS Number:
167281-18-7
Molecular Formula:
C6H2I2N2S
Molecular Weight:
387.9674
IUPAC Name:
4,7-diiodo-2,1,3-benzothiadiazole
InChI:
InChI=1S/C6H2I2N2S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H
InChI Key:
LXEFYJDGPPWGGL-UHFFFAOYSA-N
SMILES:
Ic1ccc(c2c1nsn2)I
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.803g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.965g/mol
Monoisotopic Mass:
387.803g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| 4,7-Diiodo-2,1,3-benzothiadiazole and 7,7'-diiodo-4,4'-bi(2,1,3-benzothiadiazole). | Acta crystallographica. Section C, Crystal structure communications 20020701 |
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