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7494-00-0,MFCD11855832
Catalog No.:AA003IIT
7494-00-0 | 3,5-Dichloro-4-thiocyanatoaniline
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$58.00   $40.00
- +
5g
97%
in stock  
$172.00   $120.00
- +
25g
97%
in stock  
$572.00   $400.00
- +
  • Technical Information
  • Properties
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IIT
Chemical Name:
3,5-Dichloro-4-thiocyanatoaniline
CAS Number:
7494-00-0
Molecular Formula:
C7H4Cl2N2S
Molecular Weight:
219.0911
MDL Number:
MFCD11855832
IUPAC Name:
(4-amino-2,6-dichlorophenyl) thiocyanate
InChI:
InChI=1S/C7H4Cl2N2S/c8-5-1-4(11)2-6(9)7(5)12-3-10/h1-2H,11H2
InChI Key:
AUQLKWHRBNNOEH-UHFFFAOYSA-N
SMILES:
N#CSc1c(Cl)cc(cc1Cl)N
Properties
Computed Properties
 
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.947g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.083g/mol
Monoisotopic Mass:
217.947g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
3,5-Dichloro-4-thiocyanatoaniline 
7494-00-0 
TR-024170 
V7596 
B-8287 
I09-2147 
C7H4Cl2N2S 
ACMC-209owj 
CTK5E0724 
DTXSID40675034 
ANW-36545 
MFCD11855832 
ZINC38537510 
AKOS015848857 
4-Amino-2,6-dichlorophenyl thiocyanate 
Literature
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