Formula |
C3H3NOS |
IUPAC Name |
isothiazol-3-one |
Molecular Mass |
101.127 g·mol−1 |
Heat of Formation |
-40.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.97 ± 1.08 D |
Volume |
107.83 Å 3 |
Surface Area |
119.23 Å 2 |
HOMO Energy |
-8.87 ± 0.55 eV |
LUMO Energy |
-1.46 ± eV |
Point Group Symmetry |
Cs
|
Synonyms
|
- 1,2-thiazol-3-one
- 3(2h)-isothiazolone
- 3-isothiazolone
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CAS Number(s) |
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InChIKey |
MGIYRDNGCNKGJU-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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|
Elements |
H
S
C
O
N
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