Home Nitriles 5-tert-Butyl-thiophene-2-carbonitrile

5-tert-Butyl-thiophene-2-carbonitrile

CAS No.:
685120-66-5
Catalog Number:
AG00IBUG
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$274
- +
1g
98%
1 week
United States
$484
- +
Product Description
Catalog Number:
AG00IBUG
Chemical Name:
5-tert-Butyl-thiophene-2-carbonitrile
CAS Number:
685120-66-5
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
MDL Number:
MFCD04110933
IUPAC Name:
5-tert-butylthiophene-2-carbonitrile
InChI:
InChI=1S/C9H11NS/c1-9(2,3)8-5-4-7(6-10)11-8/h4-5H,1-3H3
InChI Key:
YFXQEAFEUHMKBR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(s1)C(C)(C)C
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.061g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.254g/mol
Monoisotopic Mass:
165.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties