Home Amines 101242-22-2
101242-22-2,MFCD03011570
Catalog No.:AA0003Y4
101242-22-2 | 2-Amino-5-chlorothiazole-4-carboxylic acid
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Technical Information
Catalog Number:
AA0003Y4
Chemical Name:
2-Amino-5-chlorothiazole-4-carboxylic acid
CAS Number:
101242-22-2
Molecular Formula:
C4H3ClN2O2S
Molecular Weight:
178.5968
MDL Number:
MFCD03011570
IUPAC Name:
2-amino-5-chloro-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C4H3ClN2O2S/c5-2-1(3(8)9)7-4(6)10-2/h(H2,6,7)(H,8,9)
InChI Key:
LFUVWRRBVRRNFV-UHFFFAOYSA-N
SMILES:
Nc1sc(c(n1)C(=O)O)Cl
Properties
Computed Properties
 
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.96g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.59g/mol
Monoisotopic Mass:
177.96g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
101242-22-2 
2-Amino-5-chlorothiazole-4-carboxylic acid 
F2158-0626 
2-amino-5-chloro-1,3-thiazole-4-carboxylic acid 
Oprea1_388173 
SCHEMBL2487227 
DTXSID60635993 
MFCD03011570 
ZINC31772030 
AKOS006344010 
AJ-84314 
Literature
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