CAS
94278-17-8 Purity
96%
94278-17-8 Purity
96%
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4-(Butylthio)-4-methylpentan-2-one
CAS
94278-21-4
Catalog Number
ACM94278214
Category
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What is the molecular formula of 4-(Butylthio)-4-methylpentan-2-one?
The molecular formula is C10H20OS.
When was 4-(Butylthio)-4-methylpentan-2-one created in the PubChem database?
It was created on August 8, 2005.
What is the molecular weight of 4-(Butylthio)-4-methylpentan-2-one?
The molecular weight is 188.33 g/mol.
What is the IUPAC name of 4-(Butylthio)-4-methylpentan-2-one?
The IUPAC name is 4-butylsulfanyl-4-methylpentan-2-one.
What is the InChI of 4-(Butylthio)-4-methylpentan-2-one?
The InChI is InChI=1S/C10H20OS/c1-5-6-7-12-10(3,4)8-9(2)11/h5-8H2,1-4H3.
What is the canonical SMILES of 4-(Butylthio)-4-methylpentan-2-one?
The canonical SMILES is CCCCSC(C)(C)CC(=O)C.
How many hydrogen bond donor counts does 4-(Butylthio)-4-methylpentan-2-one have?
It has 0 hydrogen bond donor counts.
What is the topological polar surface area of 4-(Butylthio)-4-methylpentan-2-one?
The topological polar surface area is 42.4 2.
Is 4-(Butylthio)-4-methylpentan-2-one considered canonicalized in PubChem?
Yes, it is considered canonicalized in PubChem.
What is the UNII number of 4-(Butylthio)-4-methylpentan-2-one?
The UNII number is Q4H37DMQ4E.
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