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Home Nitriles 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile

4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile

CAS No.:
118996-61-5
Catalog Number:
AG0081J4
Molecular Formula:
C12H8ClN3S
Molecular Weight:
261.7300
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$78
- +
250mg
95%
In Stock USA
United States
$155
- +
1g
95%
In Stock USA
United States
$388
- +
Product Description
Catalog Number:
AG0081J4
Chemical Name:
4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile
CAS Number:
118996-61-5
Molecular Formula:
C12H8ClN3S
Molecular Weight:
261.7300
MDL Number:
MFCD00067847
IUPAC Name:
4-chloro-6-methylsulfanyl-2-phenylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C12H8ClN3S/c1-17-12-9(7-14)10(13)15-11(16-12)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
FOQOFHGQPGHIJX-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nc(nc1SC)c1ccccc1
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.013g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.727g/mol
Monoisotopic Mass:
261.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties