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190601-71-9 | 4-Thiazolecarboxylic acid, 4,5-dihydro-2-methyl-, (4S)-
CAS No: 190601-71-9 Catalog No: AG002EO2 MDL No:
Product Description
Catalog Number:
AG002EO2
Chemical Name:
4-Thiazolecarboxylic acid, 4,5-dihydro-2-methyl-, (4S)-
CAS Number:
190601-71-9
Molecular Formula:
C5H7NO2S
Molecular Weight:
145.1796
IUPAC Name:
(4S)-2-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C5H7NO2S/c1-3-6-4(2-9-3)5(7)8/h4H,2H2,1H3,(H,7,8)/t4-/m1/s1
InChI Key:
AYLFNWRGEZKWFP-SCSAIBSYSA-N
SMILES:
CC1=N[C@H](CS1)C(=O)O
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
145.02g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.176g/mol
Monoisotopic Mass:
145.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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