Home Amines 100191-31-9
100191-31-9,MFCD20703729
Catalog No.:AA00014N
100191-31-9 | 2,1,3-Benzothiadiazol-5-amine, 6-chloro-
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250mg
95%
1 week  
$240.00
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1g
95%
1 week  
$540.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00014N
Chemical Name:
2,1,3-Benzothiadiazol-5-amine, 6-chloro-
CAS Number:
100191-31-9
Molecular Formula:
C6H4ClN3S
Molecular Weight:
185.6341
MDL Number:
MFCD20703729
IUPAC Name:
5-chloro-2,1,3-benzothiadiazol-6-amine
InChI:
InChI=1S/C6H4ClN3S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,8H2
InChI Key:
CCGIAUJBFGRFHE-UHFFFAOYSA-N
SMILES:
Clc1cc2nsnc2cc1N
Properties
Computed Properties
 
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.981g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.629g/mol
Monoisotopic Mass:
184.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
5-Amino-6-chloro-2,1,3-benzothiadiazole 
100191-31-9 
TRA0068463 
AS-54513 
SY032783 
2,1,3-Benzothiadiazol-5-amine, 6-chloro- 
FT-0738969 
6-chlorobenzo[c][1,2,5]thiadiazole-5-amine 
MFCD20703729 (95%) 
6-chloro-2,1,3-Benzothiadiazol-5-amine 
SCHEMBL14973432 
KS-00000EAE 
CCGIAUJBFGRFHE-UHFFFAOYSA-N 
MFCD20703729 
AKOS027256661 
ZINC148540258 
FCH1285386 
Literature
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