Home Other Building Blocks (3-Thiophen-2-ylmethyl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid

(3-Thiophen-2-ylmethyl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid

CAS No.:
892874-27-0
Catalog Number:
AG0087FW
Molecular Formula:
C9H9N3O2S2
Molecular Weight:
255.3167
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:
AG0087FW
Chemical Name:
(3-Thiophen-2-ylmethyl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid
CAS Number:
892874-27-0
Molecular Formula:
C9H9N3O2S2
Molecular Weight:
255.3167
MDL Number:
MFCD08437537
IUPAC Name:
2-[5-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-4-yl]acetic acid
InChI:
InChI=1S/C9H9N3O2S2/c13-8(14)5-12-7(10-11-9(12)15)4-6-2-1-3-16-6/h1-3H,4-5H2,(H,11,15)(H,13,14)
InChI Key:
YOFNIMYLKPTYCU-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1c(n[nH]c1=S)Cc1cccs1
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.014g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.31g/mol
Monoisotopic Mass:
255.014g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties