Molecular FormulaC13H18ClN5OS
Molecular Weight327.83292
InChIInChI=1S/C13H17N5OS.ClH/c14-12(15)16-8-4-7-10-11(19)18(13(20)17-10)9-5-2-1-3-6-9;/h1-3,5-6,10H,4,7-8H2,(H,17,20)(H4,14,15,16);1H
InChIKey IXKPSQGERWCHMF-UHFFFAOYSA-N
SmilesC1(=S)NC(CCCNC(N)=N)C(=O)N1C1=CC=CC=C1.[H]Cl
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C13 H17 N5 O S 0.033 g : 0.5 ml DMSO-d6 5-(3-guanidinopropyl)-3-phenyl-2-thioxo-4-imidazolidone hydrochloride 
Assign. Shift(ppm)
A 10.7 B 7.92 C 7.491 D 7.443 E 7.279 F 4.478 G 3.190 J 1.61
Hz ppm Int.4280.78 10.712 482 3170.61 7.934 130 3168.60 7.929 96 3164.93 7.920 261 3159.07 7.905 135 3010.34 7.533 53 3004.30 7.518 202 3002.83 7.514 313 3001.00 7.510 177 2995.69 7.496 757 2994.04 7.492 425 2989.64 7.481 334 2988.36 7.478 715 2985.61 7.471 168 2983.97 7.467 98 2981.22 7.460 255 2979.75 7.456 435 2978.47 7.453 283 2974.99 7.444 176 2972.61 7.439 437 2969.68 7.431 126 2966.56 7.423 117 2965.28 7.420 154 2963.82 7.417 99 2961.99 7.412 50 2914.18 7.292 614 2912.71 7.289 904 2910.52 7.283 248 2907.40 7.275 385 2905.75 7.271 690 2904.65 7.268 548 2901.91 7.262 111 2898.98 7.254 54 1795.95 4.494 149 1789.72 4.479 223 1783.86 4.464 154 1285.10 3.216 131 1278.50 3.200 346 1272.27 3.184 355 1265.86 3.168 144 656.65 1.644 30 655.37 1.640 33 654.45 1.638 38 654.09 1.637 39 644.01 1.612 1000 634.31 1.588 59 633.21 1.585 52 632.29 1.583 45 631.56 1.581 42 630.09 1.577 32 629.73 1.576 30
in DMSO-d6
KBr disc
