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89641-05-4 | 5-Iodobenzo[d]thiazole
CAS No: 89641-05-4 Catalog No: AG003VW8 MDL No:MFCD06659657
Product Description
Catalog Number:
AG003VW8
Chemical Name:
5-Iodobenzo[d]thiazole
CAS Number:
89641-05-4
Molecular Formula:
C7H4INS
Molecular Weight:
261.0828
MDL Number:
MFCD06659657
IUPAC Name:
5-iodo-1,3-benzothiazole
InChI:
InChI=1S/C7H4INS/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
InChI Key:
GLKZKYSZPVHLDK-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)ncs2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.911g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.08g/mol
Monoisotopic Mass:
260.911g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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