Home Nitriles 4-Fluorobenzylthioacetonitrile

4-Fluorobenzylthioacetonitrile

CAS No.:
933673-53-1
Catalog Number:
AG01EZCA
Molecular Formula:
C9H8FNS
Molecular Weight:
181.2299
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
1 week
United States
$469
- +
5g
96%
1 week
United States
$1330
- +
25g
96%
1 week
United States
$3913
- +
Product Description
Catalog Number:
AG01EZCA
Chemical Name:
4-Fluorobenzylthioacetonitrile
CAS Number:
933673-53-1
Molecular Formula:
C9H8FNS
Molecular Weight:
181.2299
MDL Number:
MFCD08704571
IUPAC Name:
2-[(4-fluorophenyl)methylsulfanyl]acetonitrile
InChI:
InChI=1S/C9H8FNS/c10-9-3-1-8(2-4-9)7-12-6-5-11/h1-4H,6-7H2
InChI Key:
ZEVPWWKORWMLIZ-UHFFFAOYSA-N
SMILES:
N#CCSCc1ccc(cc1)F
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.036g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.228g/mol
Monoisotopic Mass:
181.036g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties