Formula |
C7H7NO2S |
IUPAC Name |
1-methylsulfanyl-4-nitro-benzene |
Molecular Mass |
169.201 g·mol−1 |
Heat of Formation |
68.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.55 ± 1.08 D |
Volume |
189.06 Å 3 |
Surface Area |
188.31 Å 2 |
HOMO Energy |
-8.98 ± 0.55 eV |
LUMO Energy |
1.61 ± eV |
Point Group Symmetry |
Cs
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Synonyms
|
- 1-(methylthio)-4-nitro-benzene
- 1-(methylthio)-4-nitrobenzene
- 4-nitrothioanisole
- benzene, 1-(methylthio)-4-nitro-
- methyl 4-nitrophenyl sulphide
- methyl-4-nitrophenyl sulfide
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CAS Number(s) |
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InChIKey |
NEZGPRYOJVPJKL-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
C
S
O
N
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