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Home Other Building Blocks 2-((4-Methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid

2-((4-Methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid

CAS No.:
200816-06-4
Catalog Number:
AG002D1D
Molecular Formula:
C5H7N3O2S
Molecular Weight:
173.1930
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
10g
95%
In Stock USA
United States
$343
- +
Product Description
Catalog Number:
AG002D1D
Chemical Name:
2-((4-Methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
CAS Number:
200816-06-4
Molecular Formula:
C5H7N3O2S
Molecular Weight:
173.1930
MDL Number:
MFCD01312578
IUPAC Name:
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
InChI:
InChI=1S/C5H7N3O2S/c1-8-3-6-7-5(8)11-2-4(9)10/h3H,2H2,1H3,(H,9,10)
InChI Key:
DYBWSXCOOHHRFY-UHFFFAOYSA-N
SMILES:
Cn1cnnc1SCC(=O)O
Properties
Complexity:
155  
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:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.19g/mol
Monoisotopic Mass:
173.026g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties