2-[(3S)-thiolan-3-yl]oxyoxane

C9H16O2S — CID 10330123

IUPAC2-[(3S)-thiolan-3-yl]oxyoxane
SMILESC1CCC(O[C@H]2CCSC2)OC1
InChIInChI=1S/C9H16O2S/c1-2-5-10-9(3-1)11-8-4-6-12-7-8/h8-9H,1-7H2/t8-,9?/m0/s1
InChIKeyXNDCESSWJPHTKA-IENPIDJESA-N
MW188.29 g/mol
LogP2.04
Rot. Bonds2

About 2-[(3S)-thiolan-3-yl]oxyoxane

2-[(3S)-thiolan-3-yl]oxyoxane (PubChem CID 10330123) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-[(3S)-thiolan-3-yl]oxyoxane.

Molecular Properties

Compound Name2-[(3S)-thiolan-3-yl]oxyoxane
PubChem CID10330123
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name2-[(3S)-thiolan-3-yl]oxyoxane
SMILESC1CCC(O[C@H]2CCSC2)OC1
InChIInChI=1S/C9H16O2S/c1-2-5-10-9(3-1)11-8-4-6-12-7-8/h8-9H,1-7H2/t8-,9?/m0/s1
InChIKeyXNDCESSWJPHTKA-IENPIDJESA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3S)-thiolan-3-yl]oxyoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1,3-Dithiolan-2-yl)butoxy]oxane
CID 10978289
(2S,5R)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane
CID 12992188
(2R,5S)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane
CID 134861164
S-[5-(oxan-2-yloxy)pentyl] ethanethioate
CID 15086512
Tetrahydropyran-2-yl 2-[(tetrahydropyran-2-yl)thio]ethyl ether
CID 15238320
2-[2-(Oxan-3-ylsulfanyl)ethoxy]oxane
CID 22975888
2-(2-Propan-2-ylsulfanylethoxy)oxane
CID 59460174
S-[(3R,4S,5R,6R)-4,5-bis(acetylsulfanyl)-6-butan-2-yloxyoxan-3-yl] ethanethioate
CID 88726163
2-(3-Methylsulfanylpropoxy)oxane
CID 89085038
2-[3-(3-Propylsulfanylpropylsulfanyl)propoxy]oxane
CID 143080012
Methane;2-[2-(oxan-2-yloxy)ethylsulfanyl]oxane
CID 158035332
Methane;2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane
CID 159521376

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-thiolan-3-yl]oxyoxane?
The IUPAC name of 2-[(3S)-thiolan-3-yl]oxyoxane (CID 10330123) is 2-[(3S)-thiolan-3-yl]oxyoxane.
What is the SMILES notation for 2-[(3S)-thiolan-3-yl]oxyoxane?
The canonical SMILES for 2-[(3S)-thiolan-3-yl]oxyoxane is C1CCC(O[C@H]2CCSC2)OC1.
What is the InChIKey of 2-[(3S)-thiolan-3-yl]oxyoxane?
The InChIKey is XNDCESSWJPHTKA-IENPIDJESA-N. The full InChI is InChI=1S/C9H16O2S/c1-2-5-10-9(3-1)11-8-4-6-12-7-8/h8-9H,1-7H2/t8-,9?/m0/s1.
What are the key properties of 2-[(3S)-thiolan-3-yl]oxyoxane?
2-[(3S)-thiolan-3-yl]oxyoxane has a molecular weight of 188.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-thiolan-3-yl]oxyoxane is sourced from PubChem (CID 10330123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).