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89502-13-6 | 5-Thiazolecarboxylic acid, 4-mercapto-2-methyl-, ethyl ester
CAS No: 89502-13-6 Catalog No: AG0041OR MDL No:
Product Description
Catalog Number:
AG0041OR
Chemical Name:
5-Thiazolecarboxylic acid, 4-mercapto-2-methyl-, ethyl ester
CAS Number:
89502-13-6
Molecular Formula:
C7H9NO2S2
Molecular Weight:
203.2819
IUPAC Name:
ethyl 2-methyl-4-sulfanyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C7H9NO2S2/c1-3-10-7(9)5-6(11)8-4(2)12-5/h11H,3H2,1-2H3
InChI Key:
XJNYUPDGVNKAOO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1S)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.007g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.274g/mol
Monoisotopic Mass:
203.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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