CAS
94094-41-4 Purity
96%
94094-41-4 Purity
96%
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9H-Thioxanthene-3-carbonitrile 10,10-dioxide
CAS
94094-45-8
Catalog Number
ACM94094458
Category
Other Products
Molecular Weight
255.291760 [g/mol]
Molecular Formula
C14H9NO2S
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Specification
Synonyms
EINECS 302-146-3, 9H-Thioxanthene-3-carbonitrile 10,10-dioxide, 94094-45-8
IUPAC Name
10,10-dioxo-9H-thioxanthene-3-carbonitrile
SMILES
C1C2=C(C=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C31
InChI Key
CVJGTZDTLJIRCZ-UHFFFAOYSA-N
Boiling Point
478.5ºC at 760 mmHg
Flash Point
243.2ºC
Density
1.44g/cm³
EC Number
302-146-3
Exact Mass
255.03500
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 9H-Thioxanthene-3-carbonitrile 10,10-dioxide?
The molecular formula is C14H9NO2S.
When was the structure of 9H-Thioxanthene-3-carbonitrile 10,10-dioxide created and last modified?
The structure was created on 2008-12-10 and last modified on 2023-12-30.
What is the IUPAC name of 9H-Thioxanthene-3-carbonitrile 10,10-dioxide?
The IUPAC name is 10,10-dioxo-9H-thioxanthene-3-carbonitrile.
What is the InChIKey of 9H-Thioxanthene-3-carbonitrile 10,10-dioxide?
The InChIKey is CVJGTZDTLJIRCZ-UHFFFAOYSA-N.
What is the Canonical SMILES representation of 9H-Thioxanthene-3-carbonitrile 10,10-dioxide?
The Canonical SMILES is C1C2=C(C=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C31.
What is the CAS number for 9H-Thioxanthene-3-carbonitrile 10,10-dioxide?
The CAS number is 94094-45-8.
What is the molecular weight of 9H-Thioxanthene-3-carbonitrile 10,10-dioxide?
The molecular weight is 255.29 g/mol.
How many hydrogen bond acceptor counts are there in 9H-Thioxanthene-3-carbonitrile 10,10-dioxide?
There are 3 hydrogen bond acceptor counts.
What is the topological polar surface area of 9H-Thioxanthene-3-carbonitrile 10,10-dioxide?
The topological polar surface area is 66.3 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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