Home Carboxys Methyl 5-aMinoisothiazole-3-carboxylate

Methyl 5-aMinoisothiazole-3-carboxylate

CAS No.:
1094070-51-5
Catalog Number:
AG008Z2N
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
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Product Description
Catalog Number:
AG008Z2N
Chemical Name:
Methyl 5-aMinoisothiazole-3-carboxylate
CAS Number:
1094070-51-5
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
MDL Number:
MFCD19105553
IUPAC Name:
methyl 5-amino-1,2-thiazole-3-carboxylate
InChI:
InChI=1S/C5H6N2O2S/c1-9-5(8)3-2-4(6)10-7-3/h2H,6H2,1H3
InChI Key:
YRGYIZCDBMJMGM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(sn1)N
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:
1  
Isotope Atom Count:
0
Molecular Weight:
158.175g/mol
Monoisotopic Mass:
158.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties