4-methylsulfanylpentanenitrile

C6H11NS — CID 126971417

IUPAC4-methylsulfanylpentanenitrile
SMILESCSC(C)CCC#N
InChIInChI=1S/C6H11NS/c1-6(8-2)4-3-5-7/h6H,3-4H2,1-2H3
InChIKeyFOTGFNGOXMEVDP-UHFFFAOYSA-N
MW129.23 g/mol
LogP2.04
Rot. Bonds3

About 4-methylsulfanylpentanenitrile

4-methylsulfanylpentanenitrile (PubChem CID 126971417) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 4-methylsulfanylpentanenitrile.

Molecular Properties

Compound Name4-methylsulfanylpentanenitrile
PubChem CID126971417
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name4-methylsulfanylpentanenitrile
SMILESCSC(C)CCC#N
InChIInChI=1S/C6H11NS/c1-6(8-2)4-3-5-7/h6H,3-4H2,1-2H3
InChIKeyFOTGFNGOXMEVDP-UHFFFAOYSA-N
XLogP2.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylpentanenitrile?
The IUPAC name of 4-methylsulfanylpentanenitrile (CID 126971417) is 4-methylsulfanylpentanenitrile.
What is the SMILES notation for 4-methylsulfanylpentanenitrile?
The canonical SMILES for 4-methylsulfanylpentanenitrile is CSC(C)CCC#N.
What is the InChIKey of 4-methylsulfanylpentanenitrile?
The InChIKey is FOTGFNGOXMEVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-6(8-2)4-3-5-7/h6H,3-4H2,1-2H3.
What are the key properties of 4-methylsulfanylpentanenitrile?
4-methylsulfanylpentanenitrile has a molecular weight of 129.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylpentanenitrile is sourced from PubChem (CID 126971417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).