CAS
92916-48-8 Purity
96%
92916-48-8 Purity
96%
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Ethyl 3-methylthio-1h pyrazole-4-carboxylate
CAS
929202-03-9
Catalog Number
ACM929202039
Category
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What is the molecular formula of Ethyl 3-methylthio-1H pyrazole-4-carboxylate?
The molecular formula is C7H10N2O2S.
What is the molecular weight of Ethyl 3-methylthio-1H pyrazole-4-carboxylate?
The molecular weight is 186.23 g/mol.
What is the IUPAC name of Ethyl 3-methylthio-1H pyrazole-4-carboxylate?
The IUPAC name is ethyl 5-methylsulfanyl-1H-pyrazole-4-carboxylate.
What is the InChI of Ethyl 3-methylthio-1H pyrazole-4-carboxylate?
The InChI is InChI=1S/C7H10N2O2S/c1-3-11-7(10)5-4-8-9-6(5)12-2/h4H,3H2,1-2H3,(H,8,9).
What is the InChIKey of Ethyl 3-methylthio-1H pyrazole-4-carboxylate?
The InChIKey is XIBALRSKBRIYIU-UHFFFAOYSA-N.
What is the canonical SMILES of Ethyl 3-methylthio-1H pyrazole-4-carboxylate?
The canonical SMILES is CCOC(=O)C1=C(NN=C1)SC.
What is the XLogP3-AA value of Ethyl 3-methylthio-1H pyrazole-4-carboxylate?
The XLogP3-AA value is 1.3.
How many hydrogen bond donor counts does Ethyl 3-methylthio-1H pyrazole-4-carboxylate have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does Ethyl 3-methylthio-1H pyrazole-4-carboxylate have?
It has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does Ethyl 3-methylthio-1H pyrazole-4-carboxylate have?
It has 4 rotatable bond counts.
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