CAS
93857-71-7 Purity
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93857-71-7 Purity
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Ethyl 2-[[3-allyl-5-[(1-ethyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5,6-dimethylbenzoxazolium sulphate
CAS
93857-83-1
Catalog Number
ACM93857831
Category
Other Products
Molecular Weight
635.79338
Molecular Formula
C33H37N3O6S2
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Specification
Synonyms
ethyl 2-[[3-allyl-5-[(1-ethyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5,6-dimethylbenzoxazolium sulphate;2-{3-ALLYL-5-[2-(1-ETHYL-4(1H)-QUINOLINYLIDENE)ETHYLIDENE]-4-OXO-2-THIAZOLIDINYLIDENE}METHYL-5,6-DIMETHYL-3-ETHY
IUPAC Name
(2Z,5E)-2-[(3,3a-diethyl-5,6-dimethyl-4H-1,3-benzoxazol-3-ium-2-yl)methylidene]-5-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one; hydrogen sulfate
InChI Key
FTZNDJQDTXHAOZ-VBRXRXASSA-M
Exact Mass
589.14000
H-Bond Acceptor
7
H-Bond Donor
1
What is the molecular formula of ethyl 2-[[3-allyl-5-[(1-ethyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5,6-dimethylbenzoxazolium sulphate?
The molecular formula of ethyl 2-[[3-allyl-5-[(1-ethyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5,6-dimethylbenzoxazolium sulphate is C31H32BrN3O2S.
When was the compound ethyl 2-[[3-allyl-5-[(1-ethyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5,6-dimethylbenzoxazolium sulphate created?
The compound was created on January 24, 2019.
What is the molecular weight of ethyl 2-[[3-allyl-5-[(1-ethyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5,6-dimethylbenzoxazolium sulphate?
The molecular weight of the compound is 590.6 g/mol.
What are the synonyms for ethyl 2-[[3-allyl-5-[(1-ethyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5,6-dimethylbenzoxazolium sulphate?
The synonyms for the compound include "ETHYL 2-[[3-ALLYL-5-[(1-ETHYL-1H-QUINOLIN-4-YLIDENE)ETHYLIDENE]-4-OXOTHIAZOLIDIN-2-YLIDENE]METHYL]-3-ETHYL-5,6-DIMETHYLBENZOXAZOLIUM SULPHATE".
What is the InChI key of the compound ethyl 2-[[3-allyl-5-[(1-ethyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5,6-dimethylbenzoxazolium sulphate?
The InChI key is LUUXAFNEOVTWNK-XHVBWSROSA-M.
How many hydrogen bond acceptors are there in the compound?
There are 5 hydrogen bond acceptors in the compound.
What is the exact mass of the compound?
The exact mass of the compound is 589.13986 g/mol.
How many rotatable bonds are present in the compound?
There are 6 rotatable bonds in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area is 65.9 Ų.
Is the compound ethyl 2-[[3-allyl-5-[(1-ethyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5,6-dimethylbenzoxazolium sulphate canonicalized?
Yes, the compound is canonicalized.
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