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1003-31-2 | 2-Thiophenecarbonitrile
CAS No: 1003-31-2 Catalog No: AG0001HI MDL No:MFCD00005416
Product Description
Catalog Number:
AG0001HI
Chemical Name:
2-Thiophenecarbonitrile
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 |
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