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Home Other Building Blocks 2-((3,5-Dimethyl-1H-pyrazol-4-yl)thio)aniline

2-((3,5-Dimethyl-1H-pyrazol-4-yl)thio)aniline

CAS No.:
150536-99-5
Catalog Number:
AG001MPK
Molecular Formula:
C11H13N3S
Molecular Weight:
219.3060
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG001MPK
Chemical Name:
2-((3,5-Dimethyl-1H-pyrazol-4-yl)thio)aniline
CAS Number:
150536-99-5
Molecular Formula:
C11H13N3S
Molecular Weight:
219.3060
MDL Number:
MFCD00448901
IUPAC Name:
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline
InChI:
InChI=1S/C11H13N3S/c1-7-11(8(2)14-13-7)15-10-6-4-3-5-9(10)12/h3-6H,12H2,1-2H3,(H,13,14)
InChI Key:
OXZGNCVDJZPDAX-UHFFFAOYSA-N
SMILES:
Nc1ccccc1Sc1c(C)n[nH]c1C
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.083g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.306g/mol
Monoisotopic Mass:
219.083g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
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