4-(2-hydroxyethylsulfanyl)butanenitrile

C6H11NOS — CID 43393650

IUPAC4-(2-hydroxyethylsulfanyl)butanenitrile
SMILESN#CCCCSCCO
InChIInChI=1S/C6H11NOS/c7-3-1-2-5-9-6-4-8/h8H,1-2,4-6H2
InChIKeyOGGQOAZPAQXZTN-UHFFFAOYSA-N
MW145.23 g/mol
LogP1.02
Rot. Bonds5

About 4-(2-hydroxyethylsulfanyl)butanenitrile

4-(2-hydroxyethylsulfanyl)butanenitrile (PubChem CID 43393650) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)butanenitrile.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)butanenitrile
PubChem CID43393650
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name4-(2-hydroxyethylsulfanyl)butanenitrile
SMILESN#CCCCSCCO
InChIInChI=1S/C6H11NOS/c7-3-1-2-5-9-6-4-8/h8H,1-2,4-6H2
InChIKeyOGGQOAZPAQXZTN-UHFFFAOYSA-N
XLogP1.02
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)butanenitrile?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)butanenitrile (CID 43393650) is 4-(2-hydroxyethylsulfanyl)butanenitrile.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)butanenitrile?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)butanenitrile is N#CCCCSCCO.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)butanenitrile?
The InChIKey is OGGQOAZPAQXZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c7-3-1-2-5-9-6-4-8/h8H,1-2,4-6H2.
What are the key properties of 4-(2-hydroxyethylsulfanyl)butanenitrile?
4-(2-hydroxyethylsulfanyl)butanenitrile has a molecular weight of 145.23 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)butanenitrile is sourced from PubChem (CID 43393650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).