2-methyl-2-methylsulfanylpropanenitrile;2-methylsulfanylacetonitrile

C8H14N2S2 — CID 161421449

IUPAC2-methyl-2-methylsulfanylpropanenitrile;2-methylsulfanylacetonitrile
SMILESCSC(C)(C)C#N.CSCC#N
InChIInChI=1S/C5H9NS.C3H5NS/c1-5(2,4-6)7-3;1-5-3-2-4/h1-3H3;3H2,1H3
InChIKeyVWUGAPQLSMVHEG-UHFFFAOYSA-N
MW202.35 g/mol
LogP2.52
Rot. Bonds2

About 2-methyl-2-methylsulfanylpropanenitrile;2-methylsulfanylacetonitrile

2-methyl-2-methylsulfanylpropanenitrile;2-methylsulfanylacetonitrile (PubChem CID 161421449) has the molecular formula C8H14N2S2 and a molecular weight of 202.35 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanylpropanenitrile;2-methylsulfanylacetonitrile.

Molecular Properties

Compound Name2-methyl-2-methylsulfanylpropanenitrile;2-methylsulfanylacetonitrile
PubChem CID161421449
Molecular FormulaC8H14N2S2
Molecular Weight202.35 g/mol
Exact Mass202.06
IUPAC Name2-methyl-2-methylsulfanylpropanenitrile;2-methylsulfanylacetonitrile
SMILESCSC(C)(C)C#N.CSCC#N
InChIInChI=1S/C5H9NS.C3H5NS/c1-5(2,4-6)7-3;1-5-3-2-4/h1-3H3;3H2,1H3
InChIKeyVWUGAPQLSMVHEG-UHFFFAOYSA-N
XLogP2.52
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanylpropanenitrile;2-methylsulfanylacetonitrile?
The IUPAC name of 2-methyl-2-methylsulfanylpropanenitrile;2-methylsulfanylacetonitrile (CID 161421449) is 2-methyl-2-methylsulfanylpropanenitrile;2-methylsulfanylacetonitrile.
What is the SMILES notation for 2-methyl-2-methylsulfanylpropanenitrile;2-methylsulfanylacetonitrile?
The canonical SMILES for 2-methyl-2-methylsulfanylpropanenitrile;2-methylsulfanylacetonitrile is CSC(C)(C)C#N.CSCC#N.
What is the InChIKey of 2-methyl-2-methylsulfanylpropanenitrile;2-methylsulfanylacetonitrile?
The InChIKey is VWUGAPQLSMVHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS.C3H5NS/c1-5(2,4-6)7-3;1-5-3-2-4/h1-3H3;3H2,1H3.
What are the key properties of 2-methyl-2-methylsulfanylpropanenitrile;2-methylsulfanylacetonitrile?
2-methyl-2-methylsulfanylpropanenitrile;2-methylsulfanylacetonitrile has a molecular weight of 202.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanylpropanenitrile;2-methylsulfanylacetonitrile is sourced from PubChem (CID 161421449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).