HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,3-Dibutylthiacarbocyanine iodide
-DibutylthiacarbocyanineIodide · 3,3`-DIBUTYLTHIACARBOCYANINE IODIDE,FOR FLUORESCENCE · 3-butyl-2-[3-(3-butyl-(3H)-benzothiazol-2-ylidene)propen-1-yl]benzothiazolium iodide · Benzothiazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-, iodide (1:1) SD2
Identifiers & Physical Properties
| CAS No. | 53213-85-7 |
|---|---|
| Molecular formula | C25H29IN2S2 |
| Average molar mass | 548.5 g/mol |
| Monoisotopic mass | 548.08169 g/mol |
| SMILES | CCCCN1/C(=C/C=C/c2sc3ccccc3[n+]2CCCC)Sc2ccccc21.[I-] |
| InChIKey | IBLJGRBTLKWIGM-UHFFFAOYSA-M |
| PubChem CID | 11947713 |
| ChEMBL | CHEMBL3409551 |
| EC No. | 258-430-1 |
Chemical & Physical Properties
| Topological polar surface area | 60.7 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 8 |
| Heavy atoms | 30 |
| Formal charge | 0 |
| Complexity | 527 |
| Solubility | DMSO: soluble |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H335-H319-H315 |
| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 22-24/25-36 |
| Water hazard class (WGK) | 3 |
| F | 8-10 |
Safety & Regulations
| F | 8-10 |
|---|---|
| Water hazard class (WGK) | 3 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 22-24/25-36 |
| GHS hazard statements | H335-H319-H315 |
| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
Applications & Uses
Uses
3,3''-Dibutylthiacarbocyanine iodide is a cyanine useful in fluorescent applications.