2-propyl-2,3-dihydrofuran-3-thiol

C7H12OS — CID 22472252

IUPAC2-propyl-2,3-dihydrofuran-3-thiol
SMILESCCCC1OC=CC1S
InChIInChI=1S/C7H12OS/c1-2-3-6-7(9)4-5-8-6/h4-7,9H,2-3H2,1H3
InChIKeyTZDHWGYDPIYODU-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.00
Rot. Bonds2

About 2-propyl-2,3-dihydrofuran-3-thiol

2-propyl-2,3-dihydrofuran-3-thiol (PubChem CID 22472252) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-propyl-2,3-dihydrofuran-3-thiol.

Molecular Properties

Compound Name2-propyl-2,3-dihydrofuran-3-thiol
PubChem CID22472252
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-propyl-2,3-dihydrofuran-3-thiol
SMILESCCCC1OC=CC1S
InChIInChI=1S/C7H12OS/c1-2-3-6-7(9)4-5-8-6/h4-7,9H,2-3H2,1H3
InChIKeyTZDHWGYDPIYODU-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-propyl-2,3-dihydrofuran-3-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2,3-dihydrofuran-3-thiol?
The IUPAC name of 2-propyl-2,3-dihydrofuran-3-thiol (CID 22472252) is 2-propyl-2,3-dihydrofuran-3-thiol.
What is the SMILES notation for 2-propyl-2,3-dihydrofuran-3-thiol?
The canonical SMILES for 2-propyl-2,3-dihydrofuran-3-thiol is CCCC1OC=CC1S.
What is the InChIKey of 2-propyl-2,3-dihydrofuran-3-thiol?
The InChIKey is TZDHWGYDPIYODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-3-6-7(9)4-5-8-6/h4-7,9H,2-3H2,1H3.
What are the key properties of 2-propyl-2,3-dihydrofuran-3-thiol?
2-propyl-2,3-dihydrofuran-3-thiol has a molecular weight of 144.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2,3-dihydrofuran-3-thiol is sourced from PubChem (CID 22472252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).