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15903-66-9 | 3-Methylisothiazole-4-carboxylic acid
CAS No: 15903-66-9 Catalog No: AG001QFG MDL No:MFCD00030523
Product Description
Catalog Number:
AG001QFG
Chemical Name:
3-Methylisothiazole-4-carboxylic acid
CAS Number:
15903-66-9
Molecular Formula:
C5H5NO2S
Molecular Weight:
143.1637
MDL Number:
MFCD00030523
IUPAC Name:
3-methyl-1,2-thiazole-4-carboxylic acid
InChI:
InChI=1S/C5H5NO2S/c1-3-4(5(7)8)2-9-6-3/h2H,1H3,(H,7,8)
InChI Key:
BOTUFHIAKJCIPY-UHFFFAOYSA-N
SMILES:
Cc1nscc1C(=O)O
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.004g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.16g/mol
Monoisotopic Mass:
143.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| New derivatives of 5-amino-3-methyl-4-isothiazolecarboxylic acid and their immunological activity. | Acta poloniae pharmaceutica 20070101 |
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