Home Nitriles 2-(5-methylthiophen-2-yl)acetonitrile

2-(5-methylthiophen-2-yl)acetonitrile

CAS No.:
113867-94-0
Catalog Number:
AG01BBMA
Molecular Formula:
C7H7NS
Molecular Weight:
137.2022
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BBMA
Chemical Name:
2-(5-methylthiophen-2-yl)acetonitrile
CAS Number:
113867-94-0
Molecular Formula:
C7H7NS
Molecular Weight:
137.2022
MDL Number:
MFCD16715913
IUPAC Name:
2-(5-methylthiophen-2-yl)acetonitrile
InChI:
InChI=1S/C7H7NS/c1-6-2-3-7(9-6)4-5-8/h2-3H,4H2,1H3
InChI Key:
RJSXCQGCONCDBE-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)CC#N
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.03g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.2g/mol
Monoisotopic Mass:
137.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties