Home Nitriles 2-[(2-Methoxyphenyl)sulfanyl]acetonitrile

2-[(2-Methoxyphenyl)sulfanyl]acetonitrile

CAS No.:
79506-64-2
Catalog Number:
AG01EXFG
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$170
- +
5g
1 week
United States
$588
- +
25g
1 week
United States
$2253
- +
Product Description
Catalog Number:
AG01EXFG
Chemical Name:
2-[(2-Methoxyphenyl)sulfanyl]acetonitrile
CAS Number:
79506-64-2
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD14618022
IUPAC Name:
2-(2-methoxyphenyl)sulfanylacetonitrile
InChI:
InChI=1S/C9H9NOS/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,7H2,1H3
InChI Key:
BDGWTXDZJOXGAG-UHFFFAOYSA-N
SMILES:
N#CCSc1ccccc1OC
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties