Formula |
C14H17ClN4S |
IUPAC Name |
3-[(4-chlorophenyl)methyl]-2-(3-imidazol-3-ium-4-ylium-4-ylpropyl)isothiourea |
Molecular Mass |
308.830 g·mol−1 |
Heat of Formation |
229.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.02 ± 1.08 D |
Volume |
368.88 Å 3 |
Surface Area |
337.9 Å 2 |
HOMO Energy |
-9.13 ± 0.55 eV |
LUMO Energy |
-0.56 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-(1h-imidazol-4-yl)propyl ((4-chlorophenyl)methyl)carbamimidothioate
- carbamimidothioic acid, ((4-chlorophenyl)methyl)-, 3-(1h-imidazol-4-yl)propyl ester
- n'-(4-chlorobenzyl)-1-[3-(3h-imidazol-4-yl)propylthio]formamidine
- n'-[(4-chlorophenyl)methyl]-1-[3-(3h-imidazol-4-yl)propylsulfanyl]formamidine
- n'-[(4-chlorophenyl)methyl]-1-[3-(3h-imidazol-4-yl)propylsulfanyl]methanimidamide
- n'-[(4-chlorophenyl)methyl]-1-[3-(3h-imidazol-4-yl)propylthio]formamidine
- pdsp1_000537
- pdsp2_000535
- s-(3-(4(5)-imidazolyl))propyl-n-(4-chlorobenzyl)isothiourea
- tocris-0752
- vuf-9153
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CAS Number(s) |
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InChIKey |
UCAIEVHKDLMIFL-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
S
N
C
Cl
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