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54420-94-9 | 6-Iodobenzo[d]thiazole-2-thiol
CAS No: 54420-94-9 Catalog No: AG00DADR MDL No:MFCD02671016
Product Description
Catalog Number:
AG00DADR
Chemical Name:
6-Iodobenzo[d]thiazole-2-thiol
CAS Number:
54420-94-9
Molecular Formula:
C7H4INS2
Molecular Weight:
293.1478
MDL Number:
MFCD02671016
IUPAC Name:
6-iodo-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C7H4INS2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChI Key:
IGDQXUDOZWGHCX-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)sc(n2)S
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.883g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.14g/mol
Monoisotopic Mass:
292.883g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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