2-ethyl-2,3-dihydrofuran-3-thiol

C6H10OS — CID 22472244

IUPAC2-ethyl-2,3-dihydrofuran-3-thiol
SMILESCCC1OC=CC1S
InChIInChI=1S/C6H10OS/c1-2-5-6(8)3-4-7-5/h3-6,8H,2H2,1H3
InChIKeyIZSCJFCNNPTLPI-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.61
Rot. Bonds1

About 2-ethyl-2,3-dihydrofuran-3-thiol

2-ethyl-2,3-dihydrofuran-3-thiol (PubChem CID 22472244) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-ethyl-2,3-dihydrofuran-3-thiol.

Molecular Properties

Compound Name2-ethyl-2,3-dihydrofuran-3-thiol
PubChem CID22472244
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name2-ethyl-2,3-dihydrofuran-3-thiol
SMILESCCC1OC=CC1S
InChIInChI=1S/C6H10OS/c1-2-5-6(8)3-4-7-5/h3-6,8H,2H2,1H3
InChIKeyIZSCJFCNNPTLPI-UHFFFAOYSA-N
XLogP1.61
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.61
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-ethyl-2,3-dihydrofuran-3-thiol?
The IUPAC name of 2-ethyl-2,3-dihydrofuran-3-thiol (CID 22472244) is 2-ethyl-2,3-dihydrofuran-3-thiol.
What is the SMILES notation for 2-ethyl-2,3-dihydrofuran-3-thiol?
The canonical SMILES for 2-ethyl-2,3-dihydrofuran-3-thiol is CCC1OC=CC1S.
What is the InChIKey of 2-ethyl-2,3-dihydrofuran-3-thiol?
The InChIKey is IZSCJFCNNPTLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-5-6(8)3-4-7-5/h3-6,8H,2H2,1H3.
What are the key properties of 2-ethyl-2,3-dihydrofuran-3-thiol?
2-ethyl-2,3-dihydrofuran-3-thiol has a molecular weight of 130.21 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-dihydrofuran-3-thiol is sourced from PubChem (CID 22472244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).