(5S)-5-propan-2-yl-1,3-oxathiane

C7H14OS — CID 642764

IUPAC(5S)-5-propan-2-yl-1,3-oxathiane
SMILESCC(C)[C@H]1COCSC1
InChIInChI=1S/C7H14OS/c1-6(2)7-3-8-5-9-4-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyOPGBATIOVNHETE-ZETCQYMHSA-N
MW146.25 g/mol
LogP1.98
Rot. Bonds1

About (5S)-5-propan-2-yl-1,3-oxathiane

(5S)-5-propan-2-yl-1,3-oxathiane (PubChem CID 642764) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (5S)-5-propan-2-yl-1,3-oxathiane.

Molecular Properties

Compound Name(5S)-5-propan-2-yl-1,3-oxathiane
PubChem CID642764
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(5S)-5-propan-2-yl-1,3-oxathiane
SMILESCC(C)[C@H]1COCSC1
InChIInChI=1S/C7H14OS/c1-6(2)7-3-8-5-9-4-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyOPGBATIOVNHETE-ZETCQYMHSA-N
XLogP1.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-propan-2-yl-1,3-oxathiane?
The IUPAC name of (5S)-5-propan-2-yl-1,3-oxathiane (CID 642764) is (5S)-5-propan-2-yl-1,3-oxathiane.
What is the SMILES notation for (5S)-5-propan-2-yl-1,3-oxathiane?
The canonical SMILES for (5S)-5-propan-2-yl-1,3-oxathiane is CC(C)[C@H]1COCSC1.
What is the InChIKey of (5S)-5-propan-2-yl-1,3-oxathiane?
The InChIKey is OPGBATIOVNHETE-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14OS/c1-6(2)7-3-8-5-9-4-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of (5S)-5-propan-2-yl-1,3-oxathiane?
(5S)-5-propan-2-yl-1,3-oxathiane has a molecular weight of 146.25 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-propan-2-yl-1,3-oxathiane is sourced from PubChem (CID 642764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).