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88466-20-0 | 1,3,4-Oxadiazole-2(3H)-thione, 5-(3-bromophenyl)-
CAS No: 88466-20-0 Catalog No: AG004CLA MDL No:MFCD00806250
Product Description
Catalog Number:
AG004CLA
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-(3-bromophenyl)-
CAS Number:
88466-20-0
Molecular Formula:
C8H5BrN2OS
Molecular Weight:
257.1071
MDL Number:
MFCD00806250
IUPAC Name:
5-(3-bromophenyl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C8H5BrN2OS/c9-6-3-1-2-5(4-6)7-10-11-8(13)12-7/h1-4H,(H,11,13)
InChI Key:
WZMCNMSXIKEYTO-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1n[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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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