Formula |
C17H15BrN4S |
IUPAC Name |
2-[[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl]isothiourea |
Molecular Mass |
387.297 g·mol−1 |
Heat of Formation |
478.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.10 ± 1.08 D |
Volume |
401.55 Å 3 |
Surface Area |
336.99 Å 2 |
HOMO Energy |
-8.73 ± 0.55 eV |
LUMO Energy |
-0.70 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- [3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methylsulfanylformamidine
- [3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methylsulfanylmethanimidamide
- [3-(3-bromophenyl)-1-phenylpyrazol-4-yl]methylsulfanylmethanimidamide
- [[3-(3-bromophenyl)-1-phenyl-4-pyrazolyl]methylthio]formamidine
- [[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methylthio]formamidine
|
InChIKey |
JAMOQXWEHMGOLS-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
Br
N
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