CAS
904369-10-4 Purity
96%
904369-10-4 Purity
96%
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ACETAMIDE,N-[2-(PYRIDIN-2-YLTHIO)ETHYL]-
CAS
90437-14-2
Catalog Number
ACM90437142
Category
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- Synthetic Use
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What is the molecular formula of the compound?
The molecular formula of the compound is C9H12N2OS.
What is the molecular weight of the compound?
The molecular weight of the compound is 196.27 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is N-(2-pyridin-2-ylsulfanylethyl)acetamide.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H12N2OS/c1-8(12)10-6-7-13-9-4-2-3-5-11-9/h2-5H,6-7H2,1H3,(H,10,12).
What is the InChIKey of the compound?
The InChIKey of the compound is KBJNACITAIIOKN-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(=O)NCCSC1=CC=CC=N1.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
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![ACETAMIDE,N-[2-(PYRIDIN-4-YLTHIO)ETHYL]-](https://resource.alfa-chemistry.com/structure/90437-15-3.gif)
