5-ethyloxolane-2-thione

C6H10OS — CID 86200058

IUPAC5-ethyloxolane-2-thione
SMILESCCC1CCC(=S)O1
InChIInChI=1S/C6H10OS/c1-2-5-3-4-6(8)7-5/h5H,2-4H2,1H3
InChIKeyRXSRZBAIIJMKLQ-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.90
Rot. Bonds1

About 5-ethyloxolane-2-thione

5-ethyloxolane-2-thione (PubChem CID 86200058) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 5-ethyloxolane-2-thione.

Molecular Properties

Compound Name5-ethyloxolane-2-thione
PubChem CID86200058
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name5-ethyloxolane-2-thione
SMILESCCC1CCC(=S)O1
InChIInChI=1S/C6H10OS/c1-2-5-3-4-6(8)7-5/h5H,2-4H2,1H3
InChIKeyRXSRZBAIIJMKLQ-UHFFFAOYSA-N
XLogP1.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethyloxolane-2-thione with MolForge

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

Launch Full Analysis

Related Compounds

Furan, 2-ethyltetrahydro-
CID 102538
O-propan-2-yl hexanethioate
CID 57359584
gamma-Thionodecalactone
CID 543411
5-methyldihydro-2(3H)-furanthione
CID 10898697
(s)-2-Ethyl-tetrahydrofuran
CID 12465998
(5R)-5-methyloxolane-2-thione
CID 11389381
(2R)-2-ethyloxolane
CID 641529
2-Ethyloxolane-3-thiol
CID 15720838
5-Butyloxolane-2-thione
CID 86200059
5-Heptyloxolane-2-thione
CID 86200061
5-Octyloxolane-2-thione
CID 86200062
(5R)-5-hexyloxolane-2-thione
CID 11953374

Frequently Asked Questions

What is the IUPAC name of 5-ethyloxolane-2-thione?
The IUPAC name of 5-ethyloxolane-2-thione (CID 86200058) is 5-ethyloxolane-2-thione.
What is the SMILES notation for 5-ethyloxolane-2-thione?
The canonical SMILES for 5-ethyloxolane-2-thione is CCC1CCC(=S)O1.
What is the InChIKey of 5-ethyloxolane-2-thione?
The InChIKey is RXSRZBAIIJMKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-5-3-4-6(8)7-5/h5H,2-4H2,1H3.
What are the key properties of 5-ethyloxolane-2-thione?
5-ethyloxolane-2-thione has a molecular weight of 130.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyloxolane-2-thione is sourced from PubChem (CID 86200058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).