Formula |
C5H6N2O2S |
IUPAC Name |
5-amino-3-methyl-isothiazole-4-carboxylic acid |
Molecular Mass |
158.178 g·mol−1 |
Heat of Formation |
-282.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.03 ± 1.08 D |
Volume |
166.8 Å 3 |
Surface Area |
167.35 Å 2 |
HOMO Energy |
-9.14 ± 0.55 eV |
LUMO Energy |
-0.87 ± eV |
Point Group Symmetry |
Cs
|
Synonyms
|
- 3-methyl-5-aminoisothiazolo-4-carboxylic acid
- 4-isothiazolecarboxylic acid, 5-amino-3-methyl-
- 5-amino-3-methyl-4-isothiazolecarboxylic acid
|
InChIKey |
AQBUEVXOULPURO-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
S
C
O
N
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