Formula |
C9H8OS |
IUPAC Name |
isothiochroman-4-one |
Molecular Mass |
164.224 g·mol−1 |
Heat of Formation |
-44.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.38 ± 1.08 D |
Volume |
187.94 Å 3 |
Surface Area |
181.95 Å 2 |
HOMO Energy |
-8.86 ± 0.55 eV |
LUMO Energy |
2.27 ± eV |
Point Group Symmetry |
C1
|
Synonyms
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- 1h-2-benzothiopyran-4(3h)-one
- 1h-2-benzothiopyran-4(3h)-one (9ci)
- 2-isothiochroman-4-one
- 4-isothiochromanone
- isothiochromanone
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CAS Number(s) |
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InChIKey |
WXGFRIMZEZRKFH-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
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