Home Carboxys 2-(aminomethyl)-1,3-thiazole-4-carboxylic acid dihydrochloride

2-(aminomethyl)-1,3-thiazole-4-carboxylic acid dihydrochloride

CAS No.:
1461713-64-3
Catalog Number:
AG01A6DJ
Molecular Formula:
C5H8Cl2N2O2S
Molecular Weight:
231.1002
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Product Description
Catalog Number:
AG01A6DJ
Chemical Name:
2-(aminomethyl)-1,3-thiazole-4-carboxylic acid dihydrochloride
CAS Number:
1461713-64-3
Molecular Formula:
C5H8Cl2N2O2S
Molecular Weight:
231.1002
MDL Number:
MFCD25371797
IUPAC Name:
2-(aminomethyl)-1,3-thiazole-4-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C5H6N2O2S.2ClH/c6-1-4-7-3(2-10-4)5(8)9;;/h2H,1,6H2,(H,8,9);2*1H
InChI Key:
LWYMVCCEMWCYNE-UHFFFAOYSA-N
SMILES:
NCc1scc(n1)C(=O)O.Cl.Cl
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.968g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
231.091g/mol
Monoisotopic Mass:
229.968g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties