2-cyclopropyl-2-methylsulfanylacetonitrile

C6H9NS — CID 90253297

IUPAC2-cyclopropyl-2-methylsulfanylacetonitrile
SMILESCSC(C#N)C1CC1
InChIInChI=1S/C6H9NS/c1-8-6(4-7)5-2-3-5/h5-6H,2-3H2,1H3
InChIKeyICDVACZBJYAUHL-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.65
Rot. Bonds2

About 2-cyclopropyl-2-methylsulfanylacetonitrile

2-cyclopropyl-2-methylsulfanylacetonitrile (PubChem CID 90253297) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 2-cyclopropyl-2-methylsulfanylacetonitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-methylsulfanylacetonitrile
PubChem CID90253297
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name2-cyclopropyl-2-methylsulfanylacetonitrile
SMILESCSC(C#N)C1CC1
InChIInChI=1S/C6H9NS/c1-8-6(4-7)5-2-3-5/h5-6H,2-3H2,1H3
InChIKeyICDVACZBJYAUHL-UHFFFAOYSA-N
XLogP1.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methylsulfanylacetonitrile?
The IUPAC name of 2-cyclopropyl-2-methylsulfanylacetonitrile (CID 90253297) is 2-cyclopropyl-2-methylsulfanylacetonitrile.
What is the SMILES notation for 2-cyclopropyl-2-methylsulfanylacetonitrile?
The canonical SMILES for 2-cyclopropyl-2-methylsulfanylacetonitrile is CSC(C#N)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methylsulfanylacetonitrile?
The InChIKey is ICDVACZBJYAUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-8-6(4-7)5-2-3-5/h5-6H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-2-methylsulfanylacetonitrile?
2-cyclopropyl-2-methylsulfanylacetonitrile has a molecular weight of 127.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methylsulfanylacetonitrile is sourced from PubChem (CID 90253297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).