3-methoxythiolane

C5H10OS — CID 19899984

IUPAC3-methoxythiolane
SMILESCOC1CCSC1
InChIInChI=1S/C5H10OS/c1-6-5-2-3-7-4-5/h5H,2-4H2,1H3
InChIKeyFSMGGAGVXOSPEE-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.14
Rot. Bonds1

About 3-methoxythiolane

3-methoxythiolane (PubChem CID 19899984) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 3-methoxythiolane.

Molecular Properties

Compound Name3-methoxythiolane
PubChem CID19899984
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name3-methoxythiolane
SMILESCOC1CCSC1
InChIInChI=1S/C5H10OS/c1-6-5-2-3-7-4-5/h5H,2-4H2,1H3
InChIKeyFSMGGAGVXOSPEE-UHFFFAOYSA-N
XLogP1.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxythiolane?
The IUPAC name of 3-methoxythiolane (CID 19899984) is 3-methoxythiolane.
What is the SMILES notation for 3-methoxythiolane?
The canonical SMILES for 3-methoxythiolane is COC1CCSC1.
What is the InChIKey of 3-methoxythiolane?
The InChIKey is FSMGGAGVXOSPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-6-5-2-3-7-4-5/h5H,2-4H2,1H3.
What are the key properties of 3-methoxythiolane?
3-methoxythiolane has a molecular weight of 118.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxythiolane is sourced from PubChem (CID 19899984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).