CAS
912329-03-4 Purity
98%
912329-03-4 Purity
98%
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(2-Sulfanylidenepyridin-1-yl)adamantane-1-carboxylate
CAS
91233-19-1
Catalog Number
ACM91233191
Category
Other Products
Molecular Weight
289.393 g/mol
Molecular Formula
C16H19NO2S
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Specification
Synonyms
Apt-N,2, CID64551, N-(1-Adamantoyloxy)pyridine-2-thione, 1-((Tricyclo(3.3.1.1(3,7))dec-1-ylcarbonyl)oxy)-2(1H)-pyridinethione, 2(1H)-Pyridinethione, 1-((tricyclo(3.3.1.1(3,7))dec-1-ylcarbonyl)oxy)-, 91233-19-1
IUPAC Name
(2-sulfanylidenepyridin-1-yl) adamantane-1-carboxylate
Canonical SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)ON4C=CC=CC4=S
InChI Key
YIMPISJHYISTET-UHFFFAOYSA-N
Boiling Point
400.9ºC at 760mmHg
Flash Point
196.2ºC
Density
1.31g/cm³
Exact Mass
289.11400
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 64551?
The molecular formula is C16H19NO2S.
What is the molecular weight of the compound?
The molecular weight is 289.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is (2-sulfanylidenepyridin-1-yl)adamantane-1-carboxylate.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1C2CC3CC1CC(C2)(C3)C(=O)ON4C=CC=CC4=S.
What is the InChIKey of the compound?
The InChIKey is YIMPISJHYISTET-UHFFFAOYSA-N.
What is the CAS number of the compound?
The CAS number is 91233-19-1.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 61.6 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many heavy atoms does the compound contain?
The compound contains 20 heavy atoms.
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