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Home Other Building Blocks 4-Amino-5-(3,4-dimethoxy-benzyl)-4h-[1,2,4]triazole-3-thiol

4-Amino-5-(3,4-dimethoxy-benzyl)-4h-[1,2,4]triazole-3-thiol

CAS No.:
568570-11-6
Catalog Number:
AG019ICY
Molecular Formula:
C11H14N4O2S
Molecular Weight:
266.3195
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$150
- +
250mg
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG019ICY
Chemical Name:
4-Amino-5-(3,4-dimethoxy-benzyl)-4h-[1,2,4]triazole-3-thiol
CAS Number:
568570-11-6
Molecular Formula:
C11H14N4O2S
Molecular Weight:
266.3195
MDL Number:
MFCD04606931
IUPAC Name:
4-amino-3-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C11H14N4O2S/c1-16-8-4-3-7(5-9(8)17-2)6-10-13-14-11(18)15(10)12/h3-5H,6,12H2,1-2H3,(H,14,18)
InChI Key:
SXNHIOQVHDILKM-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)Cc1nnc(n1N)S
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.084g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
266.319g/mol
Monoisotopic Mass:
266.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
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
Properties