(4R)-4-methyl-1,3-oxathiolane

C4H8OS — CID 637773

IUPAC(4R)-4-methyl-1,3-oxathiolane
SMILESC[C@@H]1COCS1
InChIInChI=1S/C4H8OS/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyVZPMQMFWLAVHPC-SCSAIBSYSA-N
MW104.17 g/mol
LogP1.10
Rot. Bonds

About (4R)-4-methyl-1,3-oxathiolane

(4R)-4-methyl-1,3-oxathiolane (PubChem CID 637773) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is (4R)-4-methyl-1,3-oxathiolane.

Molecular Properties

Compound Name(4R)-4-methyl-1,3-oxathiolane
PubChem CID637773
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name(4R)-4-methyl-1,3-oxathiolane
SMILESC[C@@H]1COCS1
InChIInChI=1S/C4H8OS/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyVZPMQMFWLAVHPC-SCSAIBSYSA-N
XLogP1.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-1,3-oxathiolane?
The IUPAC name of (4R)-4-methyl-1,3-oxathiolane (CID 637773) is (4R)-4-methyl-1,3-oxathiolane.
What is the SMILES notation for (4R)-4-methyl-1,3-oxathiolane?
The canonical SMILES for (4R)-4-methyl-1,3-oxathiolane is C[C@@H]1COCS1.
What is the InChIKey of (4R)-4-methyl-1,3-oxathiolane?
The InChIKey is VZPMQMFWLAVHPC-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H8OS/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (4R)-4-methyl-1,3-oxathiolane?
(4R)-4-methyl-1,3-oxathiolane has a molecular weight of 104.17 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-1,3-oxathiolane is sourced from PubChem (CID 637773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).