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18903-18-9 | 4-Thiazolecarboxylic acid, 5-amino-, ethyl ester
CAS No: 18903-18-9 Catalog No: AG002HQO MDL No:MFCD09834584
Product Description
Catalog Number:
AG002HQO
Chemical Name:
4-Thiazolecarboxylic acid, 5-amino-, ethyl ester
CAS Number:
18903-18-9
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
MDL Number:
MFCD09834584
IUPAC Name:
ethyl 5-amino-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C6H8N2O2S/c1-2-10-6(9)4-5(7)11-3-8-4/h3H,2,7H2,1H3
InChI Key:
AZDIMLOSMFZQLP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncsc1N
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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