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126651-85-2 | 3H-1,2,4-Triazole-3-thione, 5-(3-bromophenyl)-1,2-dihydro-
CAS No: 126651-85-2 Catalog No: AG000T25 MDL No:MFCD00758538
Product Description
Catalog Number:
AG000T25
Chemical Name:
3H-1,2,4-Triazole-3-thione, 5-(3-bromophenyl)-1,2-dihydro-
CAS Number:
126651-85-2
Molecular Formula:
C8H6BrN3S
Molecular Weight:
256.1223
MDL Number:
MFCD00758538
IUPAC Name:
5-(3-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
InChI:
InChI=1S/C8H6BrN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChI Key:
ALETZOQAGIEADS-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1[nH][nH]c(=S)n1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.947g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.121g/mol
Monoisotopic Mass:
254.947g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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