Formula |
C8H7NS |
IUPAC Name |
1-isothiocyanato-2-methyl-benzene |
Molecular Mass |
149.213 g·mol−1 |
Heat of Formation |
213.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.86 ± 1.08 D |
Volume |
181.9 Å 3 |
Surface Area |
184.97 Å 2 |
HOMO Energy |
-8.69 ± 0.55 eV |
LUMO Energy |
-0.98 ± eV |
Point Group Symmetry |
Cs
|
Synonyms
|
- 2-tolyl isothiocyanate
- benzene, 1-isothiocyanato-2-methyl-
- isothiocyanic acid, o-tolyl ester
- o-tolyl isothiocyanate
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CAS Number(s) |
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InChIKey |
JYKYYPPZLPVIBY-UHFFFAOYSA-N |
QR Code |
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Links |
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|
DOI |
|
Downloads |
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|
Elements |
H
S
C
N
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