Home Other Building Blocks 5-Bromo-3-(methylthio)-1h-1,2,4-triazole

5-Bromo-3-(methylthio)-1h-1,2,4-triazole

CAS No.:
15777-62-5
Catalog Number:
AG001PPF
Molecular Formula:
C3H4BrN3S
Molecular Weight:
194.0530
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
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Product Description
Catalog Number:
AG001PPF
Chemical Name:
5-Bromo-3-(methylthio)-1h-1,2,4-triazole
CAS Number:
15777-62-5
Molecular Formula:
C3H4BrN3S
Molecular Weight:
194.0530
MDL Number:
MFCD13188591
IUPAC Name:
5-bromo-3-methylsulfanyl-1H-1,2,4-triazole
InChI:
InChI=1S/C3H4BrN3S/c1-8-3-5-2(4)6-7-3/h1H3,(H,5,6,7)
InChI Key:
VPIIPESHRNBIQT-UHFFFAOYSA-N
SMILES:
CSc1n[nH]c(n1)Br
Properties
Complexity:
80.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.931g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.05g/mol
Monoisotopic Mass:
192.931g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties