CAS
928714-04-9 Purity
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928714-04-9 Purity
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Malononitrile,[4-(3-ethyl-2-benzothiazolinylidene)-2-butenylidene]-
CAS
92872-47-4
Catalog Number
ACM92872474
Category
Other Products
Molecular Weight
279.36
Molecular Formula
C16H13N3S
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Specification
Synonyms
MALONONITRILE, [4-(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)-2-BUTENYLIDENE]-;[(2E,4Z)-4-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)BUT-2-ENYLIDENE]MALONONITRILE
What is the molecular formula of Malononitrile, [4-(3-ethyl-2-benzothiazolinylidene)-2-butenylidene]?
The molecular formula is C16H13N3S.
What is the molecular weight of Malononitrile, [4-(3-ethyl-2-benzothiazolinylidene)-2-butenylidene]?
The molecular weight is 279.4 g/mol.
What is the IUPAC name of Malononitrile, [4-(3-ethyl-2-benzothiazolinylidene)-2-butenylidene]?
The IUPAC name is 2-[(E,4Z)-4-(3-ethyl-1,3-benzothiazol-2-ylidene)but-2-enylidene]propanedinitrile.
What is the InChI of Malononitrile, [4-(3-ethyl-2-benzothiazolinylidene)-2-butenylidene]?
The InChI is InChI=1S/C16H13N3S/c1-2-19-14-8-4-5-9-15(14)20-16(19)10-6-3-7-13(11-17)12-18/h3-10H,2H2,1H3/b6-3+,16-10-.
What is the InChIKey of Malononitrile, [4-(3-ethyl-2-benzothiazolinylidene)-2-butenylidene]?
The InChIKey is HIXPNNNASZSXJD-RFUMYBEHSA-N.
What is the Canonical SMILES of Malononitrile, [4-(3-ethyl-2-benzothiazolinylidene)-2-butenylidene]?
The Canonical SMILES is CCN1C2=CC=CC=C2SC1=CC=CC=C(C#N)C#N.
How many hydrogen bond acceptors does Malononitrile, [4-(3-ethyl-2-benzothiazolinylidene)-2-butenylidene] have?
It has 4 hydrogen bond acceptors.
What is the topological polar surface area of Malononitrile, [4-(3-ethyl-2-benzothiazolinylidene)-2-butenylidene]?
The topological polar surface area is 76.1 Ų.
How many covalently-bonded units does Malononitrile, [4-(3-ethyl-2-benzothiazolinylidene)-2-butenylidene] have?
It has 1 covalently-bonded unit.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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