Formula |
C6H10N2OS |
IUPAC Name |
5-[(dimethylamino)methyl]isothiazol-3-one |
Molecular Mass |
158.221 g·mol−1 |
Heat of Formation |
-63.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.74 ± 1.08 D |
Volume |
189.23 Å 3 |
Surface Area |
184.87 Å 2 |
HOMO Energy |
-8.38 ± 0.55 eV |
LUMO Energy |
-0.78 ± eV |
Point Group Symmetry |
Cs
|
Synonyms
|
- 3(2h)-isothiazolone, 5-((dimethylamino)methyl)-
- 5-(dimethylaminomethyl)-1,2-thiazol-3-one
- 5-(dimethylaminomethyl)-3-isothiazolone
- 5-(dimethylaminomethyl)isothiazol-3-one
- n,n-dimethylthiomuscimol
|
CAS Number(s) |
|
InChIKey |
ZKXUAGBKHWKZNP-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
S
C
O
N
|
|
|