Home Other Building Blocks 3-(Cyanomethyl)-2,4,5-trimethylthiophene

3-(Cyanomethyl)-2,4,5-trimethylthiophene

CAS No.:
112440-49-0
Catalog Number:
AG003EQ8
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)
1 week
United States
$353
- +
5g
>98.0%(GC)
1 week
United States
$1113
- +
Product Description
Catalog Number:
AG003EQ8
Chemical Name:
3-(Cyanomethyl)-2,4,5-trimethylthiophene
CAS Number:
112440-49-0
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
MDL Number:
MFCD00143113
IUPAC Name:
2-(2,4,5-trimethylthiophen-3-yl)acetonitrile
InChI:
InChI=1S/C9H11NS/c1-6-7(2)11-8(3)9(6)4-5-10/h4H2,1-3H3
InChI Key:
GVRRCQCZKOPGDZ-UHFFFAOYSA-N
SMILES:
N#CCc1c(C)sc(c1C)C
Properties
Complexity:
181  
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:
2.4  
Literature
Title Journal
trans-2,3-Bis(2,4,5-trimethyl-3-thien-yl)but-2-enedinitrile. Acta crystallographica. Section E, Structure reports online 20110201
Properties