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3,3′-Diethylthiacyanine iodide

3,3′-Diethylthiacyanine iodide structure

CAS No:
2197-01-5
Formula:
C19H19N2S2.I
Chemical Name:
3,3′-Diethylthiacyanine iodide
Synonyms:
Benzothiazolium,3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-,iodide (1:1);Benzothiazolium,3-ethyl-2-[(3-ethyl-2-benzothiazolinylidene)methyl]-,iodide;Benzothiazolium,3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-,iodide;3-Ethyl-2-[(3-ethyl-2-benzothiazolinylidene)methyl]benzothiazolium iodide;Thiacyanine iodide,3,3′-diethyl-;3,3′-Diethylthiacyanine iodide;Thiacyanine iodide;NK 88;169736-33-8

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3,3′-Diethylthiacyanine iodide Basic Attributes

Molecular Weight：

466.40200

Exact Mass：

466.00300

EC Number：

218-593-1

Characteristics

PSA：

65.29000

XLogP3：

1.35870

Melting Point：

262 °C (decomp)

Safety Information

Transport codes：

UN 2811 6.1/PG 3

hazard class code：

R23/24/25;R36/37/38

safety instructions：

S26-S45-S36-S37-S39

Marks：

Precautionary statement(s)：

P261-P280-P301 + P310-P305 + P351 + P338-P311

Hazard Statements：

H301-H311-H315-H319-H331-H335

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,3′-Diethylthiacyanine iodide Use and Manufacturing

Manufacturing Info：

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

Computed Properties

Molecular Weight:466.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:466.00344
Monoisotopic Mass:466.00344
Topological Polar Surface Area:60.7
Heavy Atom Count:24
Complexity:412
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 3,3′-Diethylthiacyanine iodide

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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