3-propoxythiane 1-oxide

C8H16O2S — CID 143420933

IUPAC3-propoxythiane 1-oxide
SMILESCCCOC1CCCS(=O)C1
InChIInChI=1S/C8H16O2S/c1-2-5-10-8-4-3-6-11(9)7-8/h8H,2-7H2,1H3
InChIKeyHPRQPLNIGNHYQK-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.32
Rot. Bonds3

About 3-propoxythiane 1-oxide

3-propoxythiane 1-oxide (PubChem CID 143420933) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 3-propoxythiane 1-oxide.

Molecular Properties

Compound Name3-propoxythiane 1-oxide
PubChem CID143420933
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name3-propoxythiane 1-oxide
SMILESCCCOC1CCCS(=O)C1
InChIInChI=1S/C8H16O2S/c1-2-5-10-8-4-3-6-11(9)7-8/h8H,2-7H2,1H3
InChIKeyHPRQPLNIGNHYQK-UHFFFAOYSA-N
XLogP1.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Oxathiane, 2,2,4,6-tetramethyl-, cis-
CID 141906
2-Methyl-4-propyl-1,3-oxathiane-3-oxide
CID 13808292
2,5-Bis[(butylsulfinyl)methyl]-1,4-dioxane
CID 13087302
2-[[(R)-methylsulfinyl]methyl]oxane
CID 131851862
(2S,3S,4R)-2,3-dimethyl-1,4-oxathiane 4-oxide
CID 134926172
(2S,3S,4S)-2,3-dimethyl-1,4-oxathiane 4-oxide
CID 134926173
2-[[(S)-methylsulfinyl]methyl]oxane
CID 135057507
Bis(tetrahydro-2h-pyran-2-ylmethyl)-sulfoxide
CID 137552849
(2R,5S)-2-methyl-5-[(R)-methylsulfinyl]oxane
CID 13863174
(2S,5R)-2-methyl-5-methylsulfinyloxane
CID 21587764
2,2,4,6-Tetramethyl-1,3-oxathiane
CID 91703038
3-Methoxythiane 1-oxide
CID 13567422

Frequently Asked Questions

What is the IUPAC name of 3-propoxythiane 1-oxide?
The IUPAC name of 3-propoxythiane 1-oxide (CID 143420933) is 3-propoxythiane 1-oxide.
What is the SMILES notation for 3-propoxythiane 1-oxide?
The canonical SMILES for 3-propoxythiane 1-oxide is CCCOC1CCCS(=O)C1.
What is the InChIKey of 3-propoxythiane 1-oxide?
The InChIKey is HPRQPLNIGNHYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-2-5-10-8-4-3-6-11(9)7-8/h8H,2-7H2,1H3.
What are the key properties of 3-propoxythiane 1-oxide?
3-propoxythiane 1-oxide has a molecular weight of 176.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxythiane 1-oxide is sourced from PubChem (CID 143420933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).