Clearsynth

"3,3-Dipropylthiadicarbocyanine Iodide"





Chemical Information

Chemical Name : "3,3-Dipropylthiadicarbocyanine Iodide"
Category : Intermediates


Additional Information

Canonical SMILES : CCCN1C2=CC=CC=C2SC1=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CCC.[I-]
Isomeric SMILES : CCCN\1C2=CC=CC=C2S/C1=C/C=C/C=C/C3=[N+](C4=CC=CC=C4S3)CCC.[I-]
InChI : InChI=1S/C25H27N2S2.HI/c1-3-18-26-20-12-8-10-14-22(20)28-24(26)16-6-5-7-17-25-27(19-4-2)21-13-9-11-15-23(21)29-25;/h5-17H,3-4,18-19H2,1-2H3;1H/q+1;/p-1
InchIKey : GDEURKKLNUGTDA-UHFFFAOYSA-M
IUPAC Name : (2E)-3-propyl-2-[(2E,4E)-5-(3-propyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole;iodide
Exact Mass : 546.06604
Hazard Class : Skin Irrit. 2 (100%)
EC Number : 621-258-6