Basic information
- CAS
514-73-8- Standard SMILES
CCN1\C(=C/C=C/C=C\c2sc3ccccc3[n+]2CC)Sc2ccccc21.[I-]- InChIKey
MNQDKWZEUULFPX-UHFFFAOYSA-M- Molecular formula
- C23H23IN2S2
- Average molar mass
- 518.5 g/mol
- Monoisotopic mass
- 518.03474
Overview
See also: Dithiazanine Iodide (preferred); Dithiazanine (has active moiety); Dithiazanine Iodide; Piperazine Citrate (component of).
Names & identifiers
- Preferred name
- 3-Ethyl-2-((1Z,3E,5E)-5-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]thiazol-3-ium iodide
- IUPAC
- (2E)-3-ethyl-2-[(2E,4Z)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole iodide
- English name
- 3,3'-Diethylthiadicarbocyanine iodide
- Molecular formula
- C23H23IN2S2
- Molecular weight
- 518.48
Names & synonyms
153502-66-03-Ethyl-2-((1Z,3E,5E)-5-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[d]thiazol-3-ium iodideDTDCDITHIAZANINE IODIDEDITHIAZINEDEJODTDCIDTDCLDELVEXNK 136PARTELTELMID
Database identifiers
- CAS
514-73-8- PubChem CID
- 5284545
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 537
Physicochemical properties
- Melting point
- 249 °C · 249 °C (dec.) (lit.)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Soluble in methanol
- form
- Powder
- color
- Green
- λmax
- 655 nm · 655 nm
- ex/em
- 668 · λex 668, 573 nm; λem 679 nm in Chloroform
- Merck
- 14 · 14,3369
- BRN
- 3838938 · 3838938
- InChI
- InChI=1S/C23H23N2S2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
- InChIKey
- MNQDKWZEUULFPX-UHFFFAOYSA-M
- SMILES
- C12C=CC=CC=1S/C(=C/C=C/C=C/C1SC3C=CC=CC=3[N+]=1CC)/N2CC.[I-]
- FDA UNII
- 8 OEC3RA07X · 8OEC3RA07X
- EPA Substance Registry System
- Dithiazanine iodide (514-73-8)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 8
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DL7060000
- ridadr
- UN 2811 6.1/PG 2
- hs_code
- 29309099
- Toxicity
- LD50 intraperitoneal in mouse: 3mg/kg
- risk_code
- 28-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+
- safety_code
- 26-28-36/37-45
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H300-H315-H319-H335
- Hazard Classifications
- Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P310-P302+P352-P305+P351+P338
- Hazardous Substances Data
- 514-73-8(Hazardous Substances Data)
Chemistry & industry
Applications
DescriptionDithiazanine iodide is a green, needle-likecrystalline solid which decomposes at 248℃. Sulfur-likeodor. Molecular weight= 519.51. Melting point 5 225℃;Hazard Identification (based on NFPA-704 M RatingSystem): Health 3, Flammability 0, Reactivity 1. Insolublein water.
UsesIt is employed as a solvent soluble laser dye. DTDCi is used as fluorescent contrast agent in three-dimensional fluorescence lifetime tomography and as a dye for rapid genetic screening. It is a potential sensitive probe useful for fluorometric analysis of transferable membrane pores and effects of membrane potential on Na cotransports in eel intestinal brush-border membrane vesicles.
UsesDTDCi is used as;Fluorescent contrast agent in three-dimensional fluorescence lifetime tomography.Dye for rapid genetic screening.
UsesSensitizer for photographic emulsions.
General DescriptionGreen, needle-like crystals. Used as a veterinary anthelmintic, as a sensitizer for photographic emulsions and as an insecticides. Not registered as a pesticide in the U.S.
Upstream & downstream products
Downstream products
Suppliers45 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
陕西星贝爱科生物科技有限责任公司029-13572876172 13572876172 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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