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28942-54-3 | 4-Thiazolecarboxylic acid, 2-amino-5-ethyl-, methyl ester
CAS No: 28942-54-3 Catalog No: AG002X54 MDL No:MFCD00728625
Product Description
Catalog Number:
AG002X54
Chemical Name:
4-Thiazolecarboxylic acid, 2-amino-5-ethyl-, methyl ester
CAS Number:
28942-54-3
Molecular Formula:
C7H10N2O2S
Molecular Weight:
186.2315
MDL Number:
MFCD00728625
IUPAC Name:
methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C7H10N2O2S/c1-3-4-5(6(10)11-2)9-7(8)12-4/h3H2,1-2H3,(H2,8,9)
InChI Key:
GIAXMSUPTGGVFG-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(sc1CC)N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.229g/mol
Monoisotopic Mass:
186.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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