5-methyloxolane-3-thiol

C5H10OS — CID 22572174

IUPAC5-methyloxolane-3-thiol
SMILESCC1CC(S)CO1
InChIInChI=1S/C5H10OS/c1-4-2-5(7)3-6-4/h4-5,7H,2-3H2,1H3
InChIKeyMGWXWWVAPZYSKP-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.09
Rot. Bonds

About 5-methyloxolane-3-thiol

5-methyloxolane-3-thiol (PubChem CID 22572174) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 5-methyloxolane-3-thiol.

Molecular Properties

Compound Name5-methyloxolane-3-thiol
PubChem CID22572174
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name5-methyloxolane-3-thiol
SMILESCC1CC(S)CO1
InChIInChI=1S/C5H10OS/c1-4-2-5(7)3-6-4/h4-5,7H,2-3H2,1H3
InChIKeyMGWXWWVAPZYSKP-UHFFFAOYSA-N
XLogP1.09
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.09
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-methyloxolane-3-thiol?
The IUPAC name of 5-methyloxolane-3-thiol (CID 22572174) is 5-methyloxolane-3-thiol.
What is the SMILES notation for 5-methyloxolane-3-thiol?
The canonical SMILES for 5-methyloxolane-3-thiol is CC1CC(S)CO1.
What is the InChIKey of 5-methyloxolane-3-thiol?
The InChIKey is MGWXWWVAPZYSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-4-2-5(7)3-6-4/h4-5,7H,2-3H2,1H3.
What are the key properties of 5-methyloxolane-3-thiol?
5-methyloxolane-3-thiol has a molecular weight of 118.20 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloxolane-3-thiol is sourced from PubChem (CID 22572174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).