Formula |
C7H5NS |
IUPAC Name |
isothiocyanatobenzene |
Molecular Mass |
135.186 g·mol−1 |
Heat of Formation |
254.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.29 ± 1.08 D |
Volume |
161.69 Å 3 |
Surface Area |
171.93 Å 2 |
HOMO Energy |
-8.79 ± 0.55 eV |
LUMO Energy |
-1.08 ± eV |
Point Group Symmetry |
Cs
|
Synonyms
|
- benzene, isothiocyanato-
- benzene-1-isothiocyanate
- isothiocyanic acid phenyl ester
- isothiocyanic acid, phenyl ester
- phenyl isothiocyanate solution
- phenyl mustard oil
- phenyl thioisocyanate
- phenylisothiocyanate
- phenylsenfoel
- pitc
- thiocarbanil
- usaf m-4
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CAS Number(s) |
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InChIKey |
QKFJKGMPGYROCL-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
N
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