Formula |
C12H16N6S |
IUPAC Name |
1-cyano-3-[2-[(5-methyl-1h-imidazol-4-yl)methylsulfanyl]ethyl]-2-prop-2-ynyl-guanidine |
Molecular Mass |
276.361 g·mol−1 |
Heat of Formation |
588.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.76 ± 1.08 D |
Volume |
309.11 Å 3 |
Surface Area |
286.09 Å 2 |
HOMO Energy |
-8.61 ± 0.55 eV |
LUMO Energy |
0.08 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-cyano-1-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)-3-(2-propynyl)guanidine
- 3-cyano-1-[2-[(5-methyl-1h-imidazol-4-yl)methylsulfanyl]ethyl]-2-prop-2-ynyl-guanidine
- 3-cyano-1-[2-[(5-methyl-1h-imidazol-4-yl)methylthio]ethyl]-2-prop-2-ynylguanidine
- 3-cyano-1-[2-[(5-methyl-1h-imidazol-4-yl)methylthio]ethyl]-2-propargyl-guanidine
- etintidine
- guanidine, n''-cyano-n-(2-(((5-methyl-1h-imidazol-4-yl)methyl)thio)ethyl)-n'-2-propynyl-
- guanidine, n-cyano-n'-(2-(((5-methyl-1h-imidazol-4-yl)methyl)thio)ethyl)-n''-2-propynyl-
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InChIKey |
KEDVUOWPLAHMLZ-UHFFFAOYSA-N |
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Links |
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Elements |
H
S
C
N
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