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

2-(methylamino)-1,3-thiazole-4-carboxylic acid

CAS No.:
1199216-02-8
Catalog Number:
AG008V3C
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
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Product Description
Catalog Number:
AG008V3C
Chemical Name:
2-(methylamino)-1,3-thiazole-4-carboxylic acid
CAS Number:
1199216-02-8
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
MDL Number:
MFCD18483547
IUPAC Name:
2-(methylamino)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C5H6N2O2S/c1-6-5-7-3(2-10-5)4(8)9/h2H,1H3,(H,6,7)(H,8,9)
InChI Key:
NNIZZJACYYYSFG-UHFFFAOYSA-N
SMILES:
CNc1scc(n1)C(=O)O
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.015g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
158.175g/mol
Monoisotopic Mass:
158.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties