2-propan-2-yl-2,3-dihydrofuran-3-thiol

C7H12OS — CID 22472243

IUPAC2-propan-2-yl-2,3-dihydrofuran-3-thiol
SMILESCC(C)C1OC=CC1S
InChIInChI=1S/C7H12OS/c1-5(2)7-6(9)3-4-8-7/h3-7,9H,1-2H3
InChIKeyNZDGEGDXTKTEAS-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.85
Rot. Bonds1

About 2-propan-2-yl-2,3-dihydrofuran-3-thiol

2-propan-2-yl-2,3-dihydrofuran-3-thiol (PubChem CID 22472243) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-propan-2-yl-2,3-dihydrofuran-3-thiol.

Molecular Properties

Compound Name2-propan-2-yl-2,3-dihydrofuran-3-thiol
PubChem CID22472243
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-propan-2-yl-2,3-dihydrofuran-3-thiol
SMILESCC(C)C1OC=CC1S
InChIInChI=1S/C7H12OS/c1-5(2)7-6(9)3-4-8-7/h3-7,9H,1-2H3
InChIKeyNZDGEGDXTKTEAS-UHFFFAOYSA-N
XLogP1.85
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.85
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 2-propan-2-yl-2,3-dihydrofuran-3-thiol?
The IUPAC name of 2-propan-2-yl-2,3-dihydrofuran-3-thiol (CID 22472243) is 2-propan-2-yl-2,3-dihydrofuran-3-thiol.
What is the SMILES notation for 2-propan-2-yl-2,3-dihydrofuran-3-thiol?
The canonical SMILES for 2-propan-2-yl-2,3-dihydrofuran-3-thiol is CC(C)C1OC=CC1S.
What is the InChIKey of 2-propan-2-yl-2,3-dihydrofuran-3-thiol?
The InChIKey is NZDGEGDXTKTEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-5(2)7-6(9)3-4-8-7/h3-7,9H,1-2H3.
What are the key properties of 2-propan-2-yl-2,3-dihydrofuran-3-thiol?
2-propan-2-yl-2,3-dihydrofuran-3-thiol has a molecular weight of 144.24 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2,3-dihydrofuran-3-thiol is sourced from PubChem (CID 22472243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).