Home Thiazoles 56278-50-3
56278-50-3,MFCD00051633
Catalog No.:AA003O01
56278-50-3 | Benzothiazole-2-acetonitrile
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5g
98%
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$23.00   $16.00
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25g
98%
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$95.00   $66.00
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003O01
Chemical Name:
Benzothiazole-2-acetonitrile
CAS Number:
56278-50-3
Molecular Formula:
C9H6N2S
Molecular Weight:
174.2223
MDL Number:
MFCD00051633
IUPAC Name:
2-(1,3-benzothiazol-2-yl)acetonitrile
InChI:
InChI=1S/C9H6N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2
InChI Key:
ZMZSYUSDGRJZNT-UHFFFAOYSA-N
SMILES:
N#CCc1nc2c(s1)cccc2
NSC Number:
379416
Properties
Computed Properties
 
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.221g/mol
Monoisotopic Mass:
174.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
56278-50-3 
Benzothiazole-2-acetonitrile 
MFCD00051633 
2-benzothiazol-2-ylethanenitrile 
NSC379416 
2-cyanomethylbenzothiazole 
Maybridge1_003801 
2-cyanomethyl-benzthiazole 
AC1L7W7U 
SCHEMBL76564 
KSC269I0R 
SCHEMBL2520974 
2-(benzo[d]thiazol-2-yl)acetonitrile 
2-(benzothiazolyl)-acetonitrile 
CTK1G9408 
HMS552E17 
KS-00000UYM 
ZINC80476 
ZMZSYUSDGRJZNT-UHFFFAOYSA- 
DTXSID00321646 
2-Benzothiazoleacetonitrile, 98% 
1,3-benzothiazol-2yl-acetonitrile 
2-(Benzothiazol-2-yl)acetonitrile 
2-Benzothiazoleacetonitrile 
BCP21425 
CS-M0204 
EBD25676 
1,3-benzothiazol-2-yl-acetonitrile 
2-(Cyanomethyl)-1,3-benzothiazole 
ANW-32475 
BBL009637 
CB0170 
FC0633 
SBB039173 
2-(1,3-benzothiazol-2-yl)acetonitrile 
STK318007 
(1,3-benzothiazol-2-yl)acetonitrile 
1,3-Benzothiazol-2-ylacetonitrile # 
AKOS000265902 
CB-2109 
FS-2251 
GL-0835 
MCULE-3352572406 
NSC-379416 
QC-1338 
Benzothiazole-2-yl-acetonitrile 
SDCCGMLS-0066103.P001 
TRA0033308 
VT10162 
AJ-10495 
AK-79181 
AN-40208 
CJ-00634 
ST081362 
ZB002841 
AB0018038 
2-Cyanomethyl-1,3-benzothiazole 
DB-013386 
RT-001657 
ST2416152 
BB 0218398 
FT-0622730 
A-2418 
278B503 
SR-01000532980 
I10-0457 
SR-01000532980-1 
1,3-Benzothiazol-2-ylacetonitrile 
Z56935286 
F1673-3350 
InChI=1/C9H6N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2 
C9H6N2S 
2-Benzothiazoleacetonitrile (9CI) 
CID342465 
ACN-051580 
R191 
A13564 
Benzothiazol-2-ylacetonitrile 
ZMZSYUSDGRJZNT-UHFFFAOYSA-N 
Literature

Title: Activation of JNK triggers release of Brd4 from mitotic chromosomes and mediates protection from drug-induced mitotic stress.

Journal: PloS one 20120101

Title: Synthesis, characterization of some benzazoles bearing pyridine moiety: search for novel anticancer agents.

Journal: European journal of medicinal chemistry 20110901

Title: Overweight worsens apoptosis, neuroinflammation and blood-brain barrier damage after hypoxic ischemia in neonatal brain through JNK hyperactivation.

Journal: Journal of neuroinflammation 20110101

Title: Solvatochromic, acid-base features and time effect of some azo dyes derived from 1,3-benzothiazol-2-ylacetonitrile: experimental and semiempirical investigations.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100201

Title: FoxO and stress responses in the cnidarian Hydra vulgaris.

Journal: PloS one 20100101

Title: Three-dimensional quantitative structure-activity relationship (3 D-QSAR) and docking studies on (benzothiazole-2-yl) acetonitrile derivatives as c-Jun N-terminal kinase-3 (JNK3) inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20061115

Title: Exploration of a binding mode of benzothiazol-2-yl acetonitrile pyrimidine core based derivatives as potent c-Jun N-terminal kinase-3 inhibitors and 3D-QSAR analyses.

Journal: Journal of chemical information and modeling 20060101

Title: Design and synthesis of the first generation of novel potent, selective, and in vivo active (benzothiazol-2-yl)acetonitrile inhibitors of the c-Jun N-terminal kinase.

Journal: Journal of medicinal chemistry 20050714

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