 Home > Encyclopedia > Sodium 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-3(2H)-benzoxazolepropanesulfonate (1:1)

Sodium 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-3(2H)-benzoxazolepropanesulfonate (1:1)

Sodium 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-3(2H)-benzoxazolepropanesulfonate (1:1) structure

CAS No:
62796-23-0
Formula:
C26H33N3O6S2.Na
Chemical Name:
Sodium 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-3(2H)-benzoxazolepropanesulfonate (1:1)
Synonyms:
3(2H)-Benzoxazolepropanesulfonic acid,2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-,sodium salt (1:1);3(2H)-Benzoxazolepropanesulfonic acid,2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene]-,sodium salt;Sodium 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-3(2H)-benzoxazolepropanesulfonate (1:1);Merocyanine 540;NK 2272;MC 540;M 540;M 540 (dye)

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Sodium 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-3(2H)-benzoxazolepropanesulfonate (1:1) Basic Attributes

Molecular Weight：

569.7 g/mol

Exact Mass：

569.16302238 g/mol

DSSTox ID：

DTXSID8069646

Characteristics

PSA：

151 Å²

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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.

Sodium 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-3(2H)-benzoxazolepropanesulfonate (1:1) Use and Manufacturing

Manufacturing Info：

3(2H)-Benzoxazolepropanesulfonic acid, 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-, sodium salt (1:1): INACTIVE

Computed Properties

Molecular Weight:569.7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:12
Exact Mass:569.16302238
Monoisotopic Mass:569.16302238
Topological Polar Surface Area:151
Heavy Atom Count:38
Complexity:1020
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of Sodium 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-3(2H)-benzoxazolepropanesulfonate (1:1)

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

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