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Home Other Building Blocks 2-(3-Methyl-5-thioxo-1h-1,2,4-triazol-4(5h)-yl)acetic acid

2-(3-Methyl-5-thioxo-1h-1,2,4-triazol-4(5h)-yl)acetic acid

CAS No.:
42047-33-6
Catalog Number:
AG00C0NX
Molecular Formula:
C5H7N3O2S
Molecular Weight:
173.1930
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
In Stock USA
United States
$116
- +
500mg
In Stock USA
United States
$207
- +
1g
In Stock USA
United States
$373
- +
2.5g
In Stock USA
United States
$811
- +
5g
In Stock USA
United States
$1491
- +
Product Description
Catalog Number:
AG00C0NX
Chemical Name:
2-(3-Methyl-5-thioxo-1h-1,2,4-triazol-4(5h)-yl)acetic acid
CAS Number:
42047-33-6
Molecular Formula:
C5H7N3O2S
Molecular Weight:
173.1930
MDL Number:
MFCD08437535
IUPAC Name:
2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetic acid
InChI:
InChI=1S/C5H7N3O2S/c1-3-6-7-5(11)8(3)2-4(9)10/h2H2,1H3,(H,7,11)(H,9,10)
InChI Key:
QSHGLOUULYCYOW-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(=S)n1CC(=O)O
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.026g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
173.19g/mol
Monoisotopic Mass:
173.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties