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93614-44-9 | 5-iodo-1,3-benzoxazole-2-thiol
CAS No: 93614-44-9 Catalog No: AG00IS5A MDL No:MFCD09261223
Product Description
Catalog Number:
AG00IS5A
Chemical Name:
5-iodo-1,3-benzoxazole-2-thiol
CAS Number:
93614-44-9
Molecular Formula:
C7H4INOS
Molecular Weight:
277.0822
MDL Number:
MFCD09261223
IUPAC Name:
5-iodo-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C7H4INOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)
InChI Key:
CJLBHXVGZNNSMI-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)nc(o2)S
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.906g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.079g/mol
Monoisotopic Mass:
276.906g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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