CAS 3071-70-3|3,3'-Diethylthiatricarbocyanine iodide
| Common Name | 3,3'-Diethylthiatricarbocyanine iodide | ||
|---|---|---|---|
| CAS Number | 3071-70-3 | Molecular Weight | 544.51400 |
| Density | / | Boiling Point | / |
| Molecular Formula | C25H25IN2S2 | Melting Point | 211ºC (dec.)(lit.) |
| MSDS | ChineseUSA | Flash Point | / |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 3,3'-diethylthiatricarbocyanine iodide |
|---|---|
| Synonym | More Synonyms |
3,3'-Diethylthiatricarbocyanine iodide BiologicalActivity
| Description | 3,3′-Diethylthiatricarbocyanine iodide is an infrared photographic sensitizing dye. 3,3′-Diethylthiatricarbocyanine iodide is a highly sensitive chiroptical reporter of DNA helicity and sequence[1][2]. |
|---|---|
| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
| References | [1]. Choi JK, et al. 3,3'-diethylthiatricarbocyanine iodide: a highly sensitive chiroptical reporter of DNA helicity and sequence. Int J Mol Sci. 2011;12(11):8052-62. [2]. J. A. Potenza, et al. Crystal and molecular structure of 3,3'-diethylthiatricarbocyanine iodide, an infrared photographic sensitizing dye. Acta Cryst. (1978). B34, 193-199. |
Chemical & Physical Properties
| Melting Point | 211ºC (dec.)(lit.) |
|---|---|
| Molecular Formula | C25H25IN2S2 |
| Molecular Weight | 544.51400 |
| Exact Mass | 544.05000 |
| PSA | 65.29000 |
| LogP | 3.13620 |
| InChIKey | OYVFJKVYVDYPFV-UHFFFAOYSA-M |
| SMILES | CCN1C(=CC=CC=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21.[I-] |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 10,897,1967
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H312-H315-H319-H332-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn: Harmful; |
| Risk Phrases | R20/21/22;R36/37/38 |
| Safety Phrases | S26;S36/S37 |
| RIDADR | UN 2811 |
| WGK Germany | 3 |
| RTECS | DL7045000 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
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Synonyms
| 3,3'-diethyl-2,2'-thiadicarbocyanine iodide |
| 3-Ethyl-2-[7-[3-ethyl-2(3H)-benzothiazolylidene]-1,3,5-heptatrienyl]benzothiazolium Iodide |
| DTTC IODIDE |
| 3,3'-Diethylthiatricarbocyanine Iodide |
| THIATRICARBOCYANINE IODIDE,3,3'-DIETHYL |
| oliumiodide |
| DTTCI |
| NK-126 |
| AURORA KA-295 |
| MFCD00041994 |
| 3,3'-diethylthiatricarbocyanine |
| diethylthiatricarbocyanine iodide |
| 3,3'-DIETHYL-2,2'-THIATRICARBOCYANINE IODIDE |
| 1,7-bis-(3-ethyl-benzothiazol-2-yl)-heptamethinium,iodide |
| DTTC |
| EINECS 221-342-9 |
