Home Amines 862254-43-1
862254-43-1,MFCD12196529
Catalog No.:AA003HX8
862254-43-1 | 3-(2-Amino-4-thiazolyl)benzoic acid
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250mg
95%
in stock  
$115.00   $80.00
- +
1g
95%
in stock  
$258.00   $180.00
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5g
≥95%
in stock  
$524.00   $367.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003HX8
Chemical Name:
3-(2-Amino-4-thiazolyl)benzoic acid
CAS Number:
862254-43-1
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
MDL Number:
MFCD12196529
IUPAC Name:
3-(2-amino-1,3-thiazol-4-yl)benzoic acid
InChI:
InChI=1S/C10H8N2O2S/c11-10-12-8(5-15-10)6-2-1-3-7(4-6)9(13)14/h1-5H,(H2,11,12)(H,13,14)
InChI Key:
FUVRHVASGCIPSM-UHFFFAOYSA-N
SMILES:
Nc1scc(n1)c1cccc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.031g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.246g/mol
Monoisotopic Mass:
220.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
3-(2-Amino-4-thiazolyl)benzoic acid 
862254-43-1 
FUVRHVASGCIPSM-UHFFFAOYSA-N 
3-(2-Amino-4-thiazolyl)benzoicAcid 
ANW-38289 
KM2393 
MFCD12196529 
ZINC44672114 
AKOS012453724 
TRA0072165 
AS-31953 
SY012614 
3-(2-Aminothiazol-4-yl)benzoic acid 
AJ-109892 
DB-076577 
TC-127034 
FT-0760479 
V8175 
MFCD12196529 (95%) 
I14-20224 
C10H8N2O2S 
3-(2-Amino-1,3-thiazol-4-yl)benzoic acid 
Benzoic acid, 3-(2-amino-4-thiazolyl)- 
ACMC-209q8z 
SCHEMBL3855727 
CTK8B2478 
KS-00000CNJ 
DTXSID80693934 
Literature
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