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1003-31-2,MFCD00005416
Catalog No.:AA0001EQ
1003-31-2 | 2-Thiophenecarbonitrile
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5g
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25g
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Technical Information
Catalog Number:
AA0001EQ
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
Computed 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  

Synonyms
 
2-Thiophenecarbonitrile 
1003-31-2 
2-thenonitrile 
2-thiophenenitrile 
2-cyano-thiophene 
EINECS 213-706-0 
2-thiophencarbonitrile 
PubChem5215 
thiopene-2-carbonitrile 
ACMC-1CABF 
AC1L24LH 
SCHEMBL12605 
Thiophene-2-carbonitrile 
KSC174Q9L 
BIDD:GT0001 
2-Thiophenecarbonitrile, 99% 
Jsp000094 
CHEMBL2229531 
CTK0H4895 
CUPOOAWTRIURFT-UHFFFAOYSA- 
DTXSID10143114 
HMS1788B13 
ZINC388338 
2-Cyanothiophene 
ACT02279 
KS-00000E4R 
ANW-14241 
SBB055745 
STL299669 
AKOS000121546 
CS-W004699 
MCULE-7011229152 
PS-9266 
RTC-040321 
2-Thiophene carbonitrile 
TRA0005901 
AJ-20565 
AK-46367 
AN-48248 
BC205596 
BR-46367 
CJ-03214 
SC-00020 
ZB011449 
AB0034349 
2-Thenylcyanide 
ST2410211 
TC-040321 
AM20070640 
FT-0083384 
FT-0633227 
T2121 
X8490 
M-5070 
A800100 
I09-0098 
Thiophenecarbonitrile 
W-108967 
Z56946090 
F1967-1444 
InChI=1/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H 
2-thiophene acetonitrile 
C5H3NS 
C5-H3-N-S 
CID66087 
ZINC00388338 
ACN-037745 
MFCD00005416 
C2710 
2-Thiophenecarbonitrile, 97% - 100G 100g 
CUPOOAWTRIURFT-UHFFFAOYSA-N 
2-Thiophenecarbonitrile, 97% 
Literature

Title: In search of oligo(2-thienyl)-substituted pyridine derivatives: a modular approach to di-, tri- and tetra(2-thienyl)pyridines.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20111010

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Competitive carbon-sulfur vs carbon-carbon bond activation of 2-cyanothiophene with [Ni(dippe)H]2.

Journal: Journal of the American Chemical Society 20100908

Title: 2-(2-Thien-yl)-4,5-dihydro-1H-imidazole.

Journal: Acta crystallographica. Section E, Structure reports online 20090201

Title: Understanding selectivity in the oxidative addition of the carbon-sulfur bonds of 2-cyanothiophene to Pt(0).

Journal: Inorganic chemistry 20080602

Title: 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.

Journal: Beilstein journal of organic chemistry 20070101

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

Title: Synthesis of 2,2'-bipyrroles and 2,2'-thienylpyrroles from donor-acceptor cyclopropanes and 2-cyanoheteroles.

Journal: Organic letters 20040318

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