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

2-(5-Thioxo-1h-1,2,4-triazol-4(5h)-yl)acetic acid

CAS No.:
61336-27-4
Catalog Number:
AG00EBDT
Molecular Formula:
C4H5N3O2S
Molecular Weight:
159.1664
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:
AG00EBDT
Chemical Name:
2-(5-Thioxo-1h-1,2,4-triazol-4(5h)-yl)acetic acid
CAS Number:
61336-27-4
Molecular Formula:
C4H5N3O2S
Molecular Weight:
159.1664
MDL Number:
MFCD08437534
IUPAC Name:
2-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetic acid
InChI:
InChI=1S/C4H5N3O2S/c8-3(9)1-7-2-5-6-4(7)10/h2H,1H2,(H,6,10)(H,8,9)
InChI Key:
GNVKJHXSZWAYFR-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1cn[nH]c1=S
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.01g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
159.163g/mol
Monoisotopic Mass:
159.01g/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