Home Nitriles 2-(p-Tolylthio)acetonitrile

2-(p-Tolylthio)acetonitrile

CAS No.:
21681-88-9
Catalog Number:
AG007PGJ
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$138
- +
1g
1 week
United States
$238
- +
5g
1 week
United States
$638
- +
25g
1 week
United States
$1838
- +
Product Description
Catalog Number:
AG007PGJ
Chemical Name:
2-(p-Tolylthio)acetonitrile
CAS Number:
21681-88-9
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD00040706
IUPAC Name:
2-(4-methylphenyl)sulfanylacetonitrile
InChI:
InChI=1S/C9H9NS/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,7H2,1H3
InChI Key:
IDNIFCMGOQTKGB-UHFFFAOYSA-N
SMILES:
N#CCSc1ccc(cc1)C
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.046g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.238g/mol
Monoisotopic Mass:
163.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties