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K858

CAS No.:
72926-24-0
Catalog Number:
AG00FC2M
Molecular Formula:
C13H15N3O2S
Molecular Weight:
277.3421
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
99%
1 week
United States
$126
- +
10mg
99%
1 week
United States
$182
- +
25mg
99%
1 week
United States
$328
- +
50mg
99%
1 week
United States
$543
- +
100mg
99%
1 week
United States
$946
- +
Product Description
Catalog Number:
AG00FC2M
Chemical Name:
K858
CAS Number:
72926-24-0
Molecular Formula:
C13H15N3O2S
Molecular Weight:
277.3421
MDL Number:
MFCD00181155
IUPAC Name:
N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
InChI:
InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)
InChI Key:
JEFVYQYZCAVNTP-UHFFFAOYSA-N
SMILES:
CC(=O)N1N=C(SC1(C)c1ccccc1)NC(=O)C
Properties
Complexity:
418  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.088g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.342g/mol
Monoisotopic Mass:
277.088g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties