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175202-84-3 | 1,3,4-Oxadiazole-2(3H)-thione, 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-
CAS No: 175202-84-3 Catalog No: AG0020HT MDL No:MFCD00052137
Product Description
Catalog Number:
AG0020HT
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-
CAS Number:
175202-84-3
Molecular Formula:
C8H9BrN4OS
Molecular Weight:
289.1523
MDL Number:
MFCD00052137
IUPAC Name:
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C8H9BrN4OS/c1-4-7(9)5(2)13(12-4)3-6-10-11-8(15)14-6/h3H2,1-2H3,(H,11,15)
InChI Key:
KPWNHJXAVOVBHW-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1Br)C)Cc1n[nH]c(=S)o1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.968g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.151g/mol
Monoisotopic Mass:
287.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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