Formula |
C15H19IN4S |
IUPAC Name |
2-[3-(1h-imidazol-3-ium-5-id-5-yl)propyl]-3-[2-(4-iodophenyl)ethyl]isothiourea |
Molecular Mass |
414.308 g·mol−1 |
Heat of Formation |
278.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.10 ± 1.08 D |
Volume |
402.72 Å 3 |
Surface Area |
319.76 Å 2 |
HOMO Energy |
-8.92 ± 0.55 eV |
LUMO Energy |
-0.57 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-[3-(3h-imidazol-4-yl)propylsulfanyl]-n'-[2-(4-iodophenyl)ethyl]formamidine
- 1-[3-(3h-imidazol-4-yl)propylsulfanyl]-n'-[2-(4-iodophenyl)ethyl]methanimidamide
- 1-[3-(3h-imidazol-4-yl)propylthio]-n'-[2-(4-iodophenyl)ethyl]formamidine
- carbamimidothioic acid, (2-(4-(iodo-125i)phenyl)ethyl)-3-(1h-imidazol-4-yl)propyl ester
- s-(3-(4(5)-imidazolyl)propyl)-n-(2-(4-iodophenyl)ethyl)isothiouronium hydrogen sulfate
- tocris-0779
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CAS Number(s) |
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InChIKey |
UBHYDQAARZKHEZ-UHFFFAOYSA-N |
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Links |
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Elements |
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C
N
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