sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 2-(Thiophen-3-yl)acetonitrile

2-(Thiophen-3-yl)acetonitrile

CAS No.:
13781-53-8
Catalog Number:
AG0013VN
Molecular Formula:
C6H5NS
Molecular Weight:
123.1756
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$44
- +
5g
98%
In Stock USA
United States
$103
- +
10g
98%
In Stock USA
United States
$158
- +
25g
98%
In Stock USA
United States
$332
- +
Product Description
Catalog Number:
AG0013VN
Chemical Name:
2-(Thiophen-3-yl)acetonitrile
CAS Number:
13781-53-8
Molecular Formula:
C6H5NS
Molecular Weight:
123.1756
MDL Number:
MFCD00005471
IUPAC Name:
2-thiophen-3-ylacetonitrile
InChI:
InChI=1S/C6H5NS/c7-3-1-6-2-4-8-5-6/h2,4-5H,1H2
InChI Key:
GWZCLMWEJWPFFA-UHFFFAOYSA-N
SMILES:
N#CCc1cscc1
EC Number:
237-433-1
Properties
Complexity:
113  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.014g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.173g/mol
Monoisotopic Mass:
123.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
(Z)-3-(1H-Indol-3-yl)-2-(3-thienyl)acrylonitrile and (Z)-3-[1-(4-tert-butylbenzyl)-1H-indol-3-yl]-2-(3-thienyl)acrylonitrile. Acta crystallographica. Section C, Crystal structure communications 20050201
(Z)-3-(1-Methyl-1H-indol-3-yl)-2-(thiophen-3-yl)acrylonitrile. Acta crystallographica. Section C, Crystal structure communications 20040301
Properties