Home Nitriles 2-(Phenylthio)acetonitrile

2-(Phenylthio)acetonitrile

CAS No.:
5219-61-4
Catalog Number:
AG003TQA
Molecular Formula:
C8H7NS
Molecular Weight:
149.2129
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$63
- +
5g
97%
1 week
United States
$82
- +
25g
97%
1 week
United States
$182
- +
100g
97%
1 week
United States
$538
- +
Product Description
Catalog Number:
AG003TQA
Chemical Name:
2-(Phenylthio)acetonitrile
CAS Number:
5219-61-4
Molecular Formula:
C8H7NS
Molecular Weight:
149.2129
MDL Number:
MFCD00019831
IUPAC Name:
2-phenylsulfanylacetonitrile
InChI:
InChI=1S/C8H7NS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2
InChI Key:
QMJWPWCKRKHUNY-UHFFFAOYSA-N
SMILES:
N#CCSc1ccccc1
EC Number:
226-013-3
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.03g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.211g/mol
Monoisotopic Mass:
149.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Enzymatic characterization of the recombinant Arabidopsis thaliana nitrilase subfamily encoded by the NIT2/NIT1/NIT3-gene cluster. Planta 20010301
Properties