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75113-60-9 | 2-Thiazolecarboxylicacid, 5-(2-hydroxyethyl)-4-methyl-
CAS No: 75113-60-9 Catalog No: AG0056LF MDL No:
Product Description
Catalog Number:
AG0056LF
Chemical Name:
2-Thiazolecarboxylicacid, 5-(2-hydroxyethyl)-4-methyl-
CAS Number:
75113-60-9
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
IUPAC Name:
5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-carboxylic acid
InChI:
InChI=1S/C7H9NO3S/c1-4-5(2-3-9)12-6(8-4)7(10)11/h9H,2-3H2,1H3,(H,10,11)
InChI Key:
LNYKIGXWFDMPNZ-UHFFFAOYSA-N
SMILES:
OCCc1sc(nc1C)C(=O)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Biosynthesis of thiamin thiazole in eukaryotes: conversion of NAD to an advanced intermediate. | Journal of the American Chemical Society 20070314 |
| Thiamin biosynthesis in eukaryotes: characterization of the enzyme-bound product of thiazole synthase from Saccharomyces cerevisiae and its implications in thiazole biosynthesis. | Journal of the American Chemical Society 20060607 |
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