2-cyclobutyl-2-methylsulfanylacetonitrile

C7H11NS — CID 126633688

IUPAC2-cyclobutyl-2-methylsulfanylacetonitrile
SMILESCSC(C#N)C1CCC1
InChIInChI=1S/C7H11NS/c1-9-7(5-8)6-3-2-4-6/h6-7H,2-4H2,1H3
InChIKeyTZEHNCKSBQAHDF-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.04
Rot. Bonds2

About 2-cyclobutyl-2-methylsulfanylacetonitrile

2-cyclobutyl-2-methylsulfanylacetonitrile (PubChem CID 126633688) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-cyclobutyl-2-methylsulfanylacetonitrile.

Molecular Properties

Compound Name2-cyclobutyl-2-methylsulfanylacetonitrile
PubChem CID126633688
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-cyclobutyl-2-methylsulfanylacetonitrile
SMILESCSC(C#N)C1CCC1
InChIInChI=1S/C7H11NS/c1-9-7(5-8)6-3-2-4-6/h6-7H,2-4H2,1H3
InChIKeyTZEHNCKSBQAHDF-UHFFFAOYSA-N
XLogP2.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-methylsulfanylacetonitrile?
The IUPAC name of 2-cyclobutyl-2-methylsulfanylacetonitrile (CID 126633688) is 2-cyclobutyl-2-methylsulfanylacetonitrile.
What is the SMILES notation for 2-cyclobutyl-2-methylsulfanylacetonitrile?
The canonical SMILES for 2-cyclobutyl-2-methylsulfanylacetonitrile is CSC(C#N)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-methylsulfanylacetonitrile?
The InChIKey is TZEHNCKSBQAHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-9-7(5-8)6-3-2-4-6/h6-7H,2-4H2,1H3.
What are the key properties of 2-cyclobutyl-2-methylsulfanylacetonitrile?
2-cyclobutyl-2-methylsulfanylacetonitrile has a molecular weight of 141.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-methylsulfanylacetonitrile is sourced from PubChem (CID 126633688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).