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Home Nitriles 3-(4-Formyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl)propanenitrile

3-(4-Formyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl)propanenitrile

CAS No.:
372107-06-7
Catalog Number:
AG00C5RB
Molecular Formula:
C11H9N3OS
Molecular Weight:
231.2737
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
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Product Description
Catalog Number:
AG00C5RB
Chemical Name:
3-(4-Formyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl)propanenitrile
CAS Number:
372107-06-7
Molecular Formula:
C11H9N3OS
Molecular Weight:
231.2737
MDL Number:
MFCD01909803
IUPAC Name:
3-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)propanenitrile
InChI:
InChI=1S/C11H9N3OS/c12-4-2-5-14-7-9(8-15)11(13-14)10-3-1-6-16-10/h1,3,6-8H,2,5H2
InChI Key:
KSXNJXHRROPMSA-UHFFFAOYSA-N
SMILES:
N#CCCn1cc(c(n1)c1cccs1)C=O
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.047g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.273g/mol
Monoisotopic Mass:
231.047g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
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