Formula |
C16H22N4S2 |
IUPAC Name |
3-(2-benzylsulfanylethyl)-2-(3-imidazol-3-ium-4-ylium-4-ylpropyl)isothiourea |
Molecular Mass |
334.503 g·mol−1 |
Heat of Formation |
221.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.22 ± 1.08 D |
Volume |
413.59 Å 3 |
Surface Area |
301.59 Å 2 |
HOMO Energy |
-8.18 ± 0.55 eV |
LUMO Energy |
-0.38 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-[3-(3h-imidazol-4-yl)propylsulfanyl]-n'-[2-(phenylmethylsulfanyl)ethyl]formamidine
- 1-[3-(3h-imidazol-4-yl)propylsulfanyl]-n'-[2-(phenylmethylsulfanyl)ethyl]methanimidamide
- 1-[3-(3h-imidazol-4-yl)propylthio]-n'-[2-(phenylmethylthio)ethyl]formamidine
- carbamimidothioic acid, (2-((phenylmethyl)thio)ethyl)-, 3-(1h-imidazol-4-yl)propyl ester
- n'-[2-(benzylthio)ethyl]-1-[3-(3h-imidazol-4-yl)propylthio]formamidine
- vuf 8414
- vuf-8414
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CAS Number(s) |
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InChIKey |
OLMZOTFZIULJIL-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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