CAS
91717-85-0 Purity
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91717-85-0 Purity
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N-Benzyl-2-(methylthio)pyrimidin-4-amine
CAS
91719-61-8
Catalog Number
ACM91719618
Category
Other Products
Molecular Weight
231.32
Molecular Formula
C12H13N3S
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What is the molecular formula of the compound mentioned in the reference?
The molecular formula is C12H13N3S.
What is the molecular weight of the compound?
The molecular weight is 231.32 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is N-benzyl-2-methylsulfanylpyrimidin-4-amine.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CSC1=NC=CC(=N1)NCC2=CC=CC=C2.
What is the InChIKey of the compound?
The InChIKey is XKXIAFTYXCCCQG-UHFFFAOYSA-N.
What is the CAS number of the compound?
The CAS number is 91719-61-8.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.9.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 63.1 Ų.
Is the compound defined as canonicalized?
Yes, the compound is defined as canonicalized.
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