3-propyloxathiolane 2-oxide

C6H12O2S — CID 10920667

IUPAC3-propyloxathiolane 2-oxide
SMILESCCCC1CCOS1=O
InChIInChI=1S/C6H12O2S/c1-2-3-6-4-5-8-9(6)7/h6H,2-5H2,1H3
InChIKeyLBUIAXNSGCVXNF-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.24
Rot. Bonds2

About 3-propyloxathiolane 2-oxide

3-propyloxathiolane 2-oxide (PubChem CID 10920667) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 3-propyloxathiolane 2-oxide.

Molecular Properties

Compound Name3-propyloxathiolane 2-oxide
PubChem CID10920667
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name3-propyloxathiolane 2-oxide
SMILESCCCC1CCOS1=O
InChIInChI=1S/C6H12O2S/c1-2-3-6-4-5-8-9(6)7/h6H,2-5H2,1H3
InChIKeyLBUIAXNSGCVXNF-UHFFFAOYSA-N
XLogP1.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyloxathiolane 2-oxide?
The IUPAC name of 3-propyloxathiolane 2-oxide (CID 10920667) is 3-propyloxathiolane 2-oxide.
What is the SMILES notation for 3-propyloxathiolane 2-oxide?
The canonical SMILES for 3-propyloxathiolane 2-oxide is CCCC1CCOS1=O.
What is the InChIKey of 3-propyloxathiolane 2-oxide?
The InChIKey is LBUIAXNSGCVXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-2-3-6-4-5-8-9(6)7/h6H,2-5H2,1H3.
What are the key properties of 3-propyloxathiolane 2-oxide?
3-propyloxathiolane 2-oxide has a molecular weight of 148.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyloxathiolane 2-oxide is sourced from PubChem (CID 10920667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).