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161013-20-3 | 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-bromophenyl)-
CAS No: 161013-20-3 Catalog No: AG001VL5 MDL No:MFCD00806249
Product Description
Catalog Number:
AG001VL5
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-(2-bromophenyl)-
CAS Number:
161013-20-3
Molecular Formula:
C8H5BrN2OS
Molecular Weight:
257.1071
MDL Number:
MFCD00806249
IUPAC Name:
5-(2-bromophenyl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C8H5BrN2OS/c9-6-4-2-1-3-5(6)7-10-11-8(13)12-7/h1-4H,(H,11,13)
InChI Key:
UIURODGFCJJJFY-UHFFFAOYSA-N
SMILES:
Brc1ccccc1c1n[nH]c(=S)o1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.931g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.105g/mol
Monoisotopic Mass:
255.931g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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