Home Nitriles Thiophene-2-carbonitrile

Thiophene-2-carbonitrile

CAS No.:
1003-31-2
Catalog Number:
AG0001HI
Molecular Formula:
C5H3NS
Molecular Weight:
109.1490
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$35
- +
100g
98%
In Stock USA
United States
$119
- +
Product Description
Catalog Number:
AG0001HI
Chemical Name:
Thiophene-2-carbonitrile
CAS Number:
1003-31-2
Molecular Formula:
C5H3NS
Molecular Weight:
109.1490
MDL Number:
MFCD00005416
IUPAC Name:
thiophene-2-carbonitrile
InChI:
InChI=1S/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H
InChI Key:
CUPOOAWTRIURFT-UHFFFAOYSA-N
SMILES:
N#Cc1cccs1
EC Number:
213-706-0
Properties
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.999g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.146g/mol
Monoisotopic Mass:
108.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
In search of oligo(2-thienyl)-substituted pyridine derivatives: a modular approach to di-, tri- and tetra(2-thienyl)pyridines. Chemistry (Weinheim an der Bergstrasse, Germany) 20111010
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Competitive carbon-sulfur vs carbon-carbon bond activation of 2-cyanothiophene with [Ni(dippe)H]2. Journal of the American Chemical Society 20100908
2-(2-Thien-yl)-4,5-dihydro-1H-imidazole. Acta crystallographica. Section E, Structure reports online 20090201
Understanding selectivity in the oxidative addition of the carbon-sulfur bonds of 2-cyanothiophene to Pt(0). Inorganic chemistry 20080602
Development of potential manufacturing routes for substituted thiophenes--preparation of halogenated 2-thiophenecarboxylic acid derivatives as building blocks for a new family of 2,6-dihaloaryl 1,2,4-triazole insecticides. Beilstein journal of organic chemistry 20070101
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Synthesis of 2,2'-bipyrroles and 2,2'-thienylpyrroles from donor-acceptor cyclopropanes and 2-cyanoheteroles. Organic letters 20040318
Properties