DiSC3(5)

Catalog Number

ACM53213948-1

CAS

53213-94-8

Structure

Synonyms

3,3'-Dipropylthiadicarbocyanine Iodide

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

Molecular Weight

546.53

Molecular Formula

C25H27IN2S2

Canonical 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

InChI Key

GDEURKKLNUGTDA-UHFFFAOYSA-M

Melting Point

245 °C

Purity

98%

Appearance

Red solid

Emission Maximum

675 nm

Excitation Maximum

651 nm

Packaging

1 mg/5 mg

• Catalog Number: ACM53213948-1
• CAS: 53213-94-8
• Synonyms: 3,3'-Dipropylthiadicarbocyanine Iodide
• 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
• Molecular Weight: 546.53
• Molecular Formula: C25H27IN2S2
• Canonical 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
• InChI Key: GDEURKKLNUGTDA-UHFFFAOYSA-M
• Melting Point: 245 °C
• Purity: 98%
• Appearance: Red solid
• Emission Maximum: 675 nm
• Excitation Maximum: 651 nm
• Packaging: 1 mg/5 mg