Benzothiazolium,3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide (1:1)

Modify Date: 2025-08-27 10:51:10

Benzothiazolium,3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide (1:1) structure	Common Name	Benzothiazolium,3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide (1:1)
	CAS Number	2197-01-5	Molecular Weight	466.40200
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₉H₁₉IN₂S₂	Melting Point	300ºC
	MSDS	Chinese USA	Flash Point	N/A
	Symbol	GHS06	Signal Word	Danger

Use of Benzothiazolium,3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide (1:1)

3,3'-Diethylthiacyanine iodide is a cyanine fluorescent dye. 3,3'-Diethylthiacyanine iodide manifestes a pronounced affinity for bacterial cells[1].

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	3,3′-Diethylthiacyanine iodide
Synonym	More Synonyms

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description	3,3'-Diethylthiacyanine iodide is a cyanine fluorescent dye. 3,3'-Diethylthiacyanine iodide manifestes a pronounced affinity for bacterial cells[1].
Related Catalog	Research Areas >> Others Signaling Pathways >> Anti-infection >> Bacterial
References	[1]. Thomas MS, et al. Kinetics of bacterial fluorescence staining with 3,3'-diethylthiacyanine. Langmuir. 2010 Jun 15;26(12):9756-65.

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Melting Point	300ºC
Molecular Formula	C₁₉H₁₉IN₂S₂
Molecular Weight	466.40200
Exact Mass	466.00300
PSA	65.29000
LogP	1.35870
InChIKey	XWUVSDMFUQTKQC-UHFFFAOYSA-M
SMILES	CCN1C(=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21.[I-]

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

MSDS(Chinese)

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301-H311-H315-H319-H331-H335
Precautionary Statements	P261-P280-P301 + P310-P305 + P351 + P338-P311
Personal Protective Equipment	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes	T
Risk Phrases	R23/24/25;R36/37/38
Safety Phrases	S26-S45-S36-S37-S39
RIDADR	UN 2811 6.1/PG 3

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

3-Ethyl-2,3-dih...

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3-Ethyl-2-Methy...

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Literature: Vompe, A. F.; Ivanova, L. V.; Meskhi, L. M.; Monich, N. V.; Raikhina, R. D. Journal of Organic Chemistry USSR (English Translation), 1985 , vol. 21, # 3 p. 529 - 537 Zhurnal Organicheskoi Khimii, 1985 , vol. 21, # 3 p. 584 - 594

3-Ethyl-2-Methy...

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Literature: Hishiki Journal of the Scientific Research Institute, Tokyo, 1951 , vol. 45, p. 112,126

Ethyl iodide

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Literature: Mills Journal of the Chemical Society, 1922 , vol. 121, p. 464

Pentyl nitrite

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3-Ethyl-2-Methy...

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Ethanoic anhydride

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Literature: Hishiki Journal of the Scientific Research Institute, Tokyo, 1951 , vol. 45, p. 112,126

3-Ethyl-2-Methy...

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1-ETHYL-2-(5-(1...

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3,3'-Diethylthi...

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3-Ethyl-2-Methy...

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This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in...
Source: ChEMBL
Target: Plasmodium falciparum
External Id: CHEMBL1040691

Name: Inhibition of His-tagged human recombinant 2N4R tau protein aggregation assessed as i...
Source: ChEMBL
Target: N/A
External Id: CHEMBL998002

Name: NOVARTIS: Inhibition Frequency Index (IFI) - the number of HTS assays where a compoun...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1040694

Name: NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in er...
Source: ChEMBL
Target: Plasmodium falciparum
External Id: CHEMBL1040692

Name: NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction ...
Source: ChEMBL
Target: Plasmodium yoelii
External Id: CHEMBL1789905

Name: NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7)
Source: ChEMBL
Target: Huh-7
External Id: CHEMBL1040693

Total 6, Current Page 1 of 1

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

MFCD00050309

(2E)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole,iodide

EINECS 218-593-1

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the English name of 3,3′-Diethylthiacyanine iodide?

A: The English name of 3,3′-Diethylthiacyanine iodide is 3,3′-Diethylthiacyanine iodide.

Q: What is the safety information for 3,3′-Diethylthiacyanine iodide?

A: Safety information for 3,3′-Diethylthiacyanine iodide: S26-S45-S36-S37-S39.

Q: What is the InChIKey of 3,3′-Diethylthiacyanine iodide?

A: InChIKey of 3,3′-Diethylthiacyanine iodide is XWUVSDMFUQTKQC-UHFFFAOYSA-M.

Q: What is the molecular weight of 3,3′-Diethylthiacyanine iodide?

A: Molecular weight of 3,3′-Diethylthiacyanine iodide is 466.40200.

Q: What is the SMILES notation of 3,3′-Diethylthiacyanine iodide?

A: SMILES notation of 3,3′-Diethylthiacyanine iodide is CCN1C(=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21.[I-].

Q: What is the polar surface area (PSA) of 3,3′-Diethylthiacyanine iodide?

A: Polar surface area (PSA) of 3,3′-Diethylthiacyanine iodide is 65.29000.

Q: What English synonyms does 3,3′-Diethylthiacyanine iodide have?

A: English synonyms of 3,3′-Diethylthiacyanine iodide: MFCD00050309, (2E)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole,iodide, EINECS 218-593-1.

Q: What is the LogP of 3,3′-Diethylthiacyanine iodide?

A: LogP of 3,3′-Diethylthiacyanine iodide is 1.35870.

Q: What is the melting point of 3,3′-Diethylthiacyanine iodide?

A: Melting point of 3,3′-Diethylthiacyanine iodide is 300ºC.

Q: What are the uses of 3,3′-Diethylthiacyanine iodide?

A: Main uses of 3,3′-Diethylthiacyanine iodide: 3,3'-Diethylthiacyanine iodide is a cyanine fluorescent dye. 3,3'-Diethylthiacyanine iodide manifestes a pronounced affinity for bacterial cells[1].

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Dayang Chem (Hangzhou) Co., Ltd.

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Benzothiazolium,3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide (1:1)

Use of Benzothiazolium,3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide (1:1)

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.