Formula |
C15H12ClF2N3S |
IUPAC Name |
1-(5-chloro-2-pyridyl)-3-[(1r,2r)-2-(2,6-difluorophenyl)cyclopropyl]thiourea |
Molecular Mass |
339.791 g·mol−1 |
Heat of Formation |
-51.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.96 ± 1.08 D |
Volume |
369.88 Å 3 |
Surface Area |
292.72 Å 2 |
HOMO Energy |
-8.51 ± 0.55 eV |
LUMO Energy |
-1.46 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-(5-chloro-2-pyridyl)-1-[(1r,2r)-2-(2,6-difluorophenyl)cyclopropyl]thiourea
- 3-(5-chloropyridin-2-yl)-1-[(1r,2r)-2-(2,6-difluorophenyl)cyclopropyl]thiourea
- msc-127
- n'-(5-chloro-2-pyridinyl)-n-[cis-2-(2,6-difluorophenyl)cyclopropyl]-thiourea
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InChIKey |
MLQMPUODICNZDI-JOYOIKCWSA-N |
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Links |
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Downloads |
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Elements |
C
F
H
Cl
N
S
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