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Home Halogens 3,5-Dichloroisothiazole-4-carbonitrile

3,5-Dichloroisothiazole-4-carbonitrile

CAS No.:
2120-82-3
Catalog Number:
AG007OS2
Molecular Formula:
C4Cl2N2S
Molecular Weight:
179.0272
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$185
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Product Description
Catalog Number:
AG007OS2
Chemical Name:
3,5-Dichloroisothiazole-4-carbonitrile
CAS Number:
2120-82-3
Molecular Formula:
C4Cl2N2S
Molecular Weight:
179.0272
MDL Number:
MFCD00227538
IUPAC Name:
3,5-dichloro-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C4Cl2N2S/c5-3-2(1-7)4(6)9-8-3
InChI Key:
RUNARDFVMLWILC-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nsc1Cl
NSC Number:
202750
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.916g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.018g/mol
Monoisotopic Mass:
177.916g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
New regiospecific isothiazole C-C coupling chemistry. Organic & biomolecular chemistry 20061007
Regiospecific Suzuki coupling of 3,5-dichloroisothiazole-4-carbonitrile. Organic & biomolecular chemistry 20030821
Synthesis and antiviral activity of a new series of 4-isothiazolecarbonitriles. Bioorganic & medicinal chemistry 19981201
Properties