Home Other Building Blocks 4-Amino-5-(3,4-dimethoxyphenyl)-4h-1,2,4-triazole-3-thiol

4-Amino-5-(3,4-dimethoxyphenyl)-4h-1,2,4-triazole-3-thiol

CAS No.:
125866-62-8
Catalog Number:
AG000OWQ
Molecular Formula:
C10H12N4O2S
Molecular Weight:
252.2929
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$150
- +
1g
98%
In Stock USA
United States
$338
- +
5g
98%
In Stock USA
United States
$1125
- +
10g
98%
In Stock USA
United States
$1800
- +
Product Description
Catalog Number:
AG000OWQ
Chemical Name:
4-Amino-5-(3,4-dimethoxyphenyl)-4h-1,2,4-triazole-3-thiol
CAS Number:
125866-62-8
Molecular Formula:
C10H12N4O2S
Molecular Weight:
252.2929
MDL Number:
MFCD01166530
IUPAC Name:
4-amino-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C10H12N4O2S/c1-15-7-4-3-6(5-8(7)16-2)9-12-13-10(17)14(9)11/h3-5H,11H2,1-2H3,(H,13,17)
InChI Key:
UVDXESRWIPPBPS-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1n[nH]c(=S)n1N
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.068g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.292g/mol
Monoisotopic Mass:
252.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties