Home Nitriles 4-Cyclopropyl-2-mercapto-6-(trifluoromethyl)nicotinonitrile

4-Cyclopropyl-2-mercapto-6-(trifluoromethyl)nicotinonitrile

CAS No.:
869949-78-0
Catalog Number:
AG01EY0H
Molecular Formula:
C10H7F3N2S
Molecular Weight:
244.2362
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$670
- +
1g
1 week
United States
$1274
- +
Product Description
Catalog Number:
AG01EY0H
Chemical Name:
4-Cyclopropyl-2-mercapto-6-(trifluoromethyl)nicotinonitrile
CAS Number:
869949-78-0
Molecular Formula:
C10H7F3N2S
Molecular Weight:
244.2362
MDL Number:
MFCD03422719
IUPAC Name:
4-cyclopropyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C10H7F3N2S/c11-10(12,13)8-3-6(5-1-2-5)7(4-14)9(16)15-8/h3,5H,1-2H2,(H,15,16)
InChI Key:
LRVHLJFAHIJYNJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(S)nc(cc1C1CC1)C(F)(F)F
Properties
Complexity:
460  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.028g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.235g/mol
Monoisotopic Mass:
244.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties