5-propan-2-ylfuran-2-thiol

C7H10OS — CID 118856945

IUPAC5-propan-2-ylfuran-2-thiol
SMILESCC(C)c1ccc(S)o1
InChIInChI=1S/C7H10OS/c1-5(2)6-3-4-7(9)8-6/h3-5,9H,1-2H3
InChIKeyJQCQOYUSSGMIJE-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.69
Rot. Bonds1

About 5-propan-2-ylfuran-2-thiol

5-propan-2-ylfuran-2-thiol (PubChem CID 118856945) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 5-propan-2-ylfuran-2-thiol.

Molecular Properties

Compound Name5-propan-2-ylfuran-2-thiol
PubChem CID118856945
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name5-propan-2-ylfuran-2-thiol
SMILESCC(C)c1ccc(S)o1
InChIInChI=1S/C7H10OS/c1-5(2)6-3-4-7(9)8-6/h3-5,9H,1-2H3
InChIKeyJQCQOYUSSGMIJE-UHFFFAOYSA-N
XLogP2.69
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylfuran-2-thiol?
The IUPAC name of 5-propan-2-ylfuran-2-thiol (CID 118856945) is 5-propan-2-ylfuran-2-thiol.
What is the SMILES notation for 5-propan-2-ylfuran-2-thiol?
The canonical SMILES for 5-propan-2-ylfuran-2-thiol is CC(C)c1ccc(S)o1.
What is the InChIKey of 5-propan-2-ylfuran-2-thiol?
The InChIKey is JQCQOYUSSGMIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-5(2)6-3-4-7(9)8-6/h3-5,9H,1-2H3.
What are the key properties of 5-propan-2-ylfuran-2-thiol?
5-propan-2-ylfuran-2-thiol has a molecular weight of 142.22 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylfuran-2-thiol is sourced from PubChem (CID 118856945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).