2-[(3R,4S)-4-methylthiolan-3-yl]oxyoxane

C10H18O2S — CID 10397957

IUPAC2-[(3R,4S)-4-methylthiolan-3-yl]oxyoxane
SMILESC[C@@H]1CSC[C@@H]1OC1CCCCO1
InChIInChI=1S/C10H18O2S/c1-8-6-13-7-9(8)12-10-4-2-3-5-11-10/h8-10H,2-7H2,1H3/t8-,9+,10?/m1/s1
InChIKeyUPSYALGUNBTAGK-ZDGBYWQASA-N
MW202.32 g/mol
LogP2.28
Rot. Bonds2

About 2-[(3R,4S)-4-methylthiolan-3-yl]oxyoxane

2-[(3R,4S)-4-methylthiolan-3-yl]oxyoxane (PubChem CID 10397957) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-[(3R,4S)-4-methylthiolan-3-yl]oxyoxane.

Molecular Properties

Compound Name2-[(3R,4S)-4-methylthiolan-3-yl]oxyoxane
PubChem CID10397957
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name2-[(3R,4S)-4-methylthiolan-3-yl]oxyoxane
SMILESC[C@@H]1CSC[C@@H]1OC1CCCCO1
InChIInChI=1S/C10H18O2S/c1-8-6-13-7-9(8)12-10-4-2-3-5-11-10/h8-10H,2-7H2,1H3/t8-,9+,10?/m1/s1
InChIKeyUPSYALGUNBTAGK-ZDGBYWQASA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(3S)-3-(diethoxymethyl)thiane
CID 134888453
2-[(3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-yl]oxyoxane
CID 159212520
(2S,5R)-4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane
CID 60044311
(2S)-3-methyl-2-(oxan-2-yloxy)butane-1-thiol
CID 151136734
2-[(1-Methoxy-2-methylpropoxy)methyl]thiolane
CID 178454396
2-[(1S)-2-methyl-1-[(2R)-thietan-2-yl]propoxy]oxane
CID 9991473
2-[(3S,4R)-4-methylthiolan-3-yl]oxyoxane
CID 10104321
2-[(3S)-thiolan-3-yl]oxyoxane
CID 10330123
2-[(2R,3R)-2-propan-2-ylthiolan-3-yl]oxyoxane
CID 10353815
2-[(3R)-thiolan-3-yl]oxyoxane
CID 10397609

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-4-methylthiolan-3-yl]oxyoxane?
The IUPAC name of 2-[(3R,4S)-4-methylthiolan-3-yl]oxyoxane (CID 10397957) is 2-[(3R,4S)-4-methylthiolan-3-yl]oxyoxane.
What is the SMILES notation for 2-[(3R,4S)-4-methylthiolan-3-yl]oxyoxane?
The canonical SMILES for 2-[(3R,4S)-4-methylthiolan-3-yl]oxyoxane is C[C@@H]1CSC[C@@H]1OC1CCCCO1.
What is the InChIKey of 2-[(3R,4S)-4-methylthiolan-3-yl]oxyoxane?
The InChIKey is UPSYALGUNBTAGK-ZDGBYWQASA-N. The full InChI is InChI=1S/C10H18O2S/c1-8-6-13-7-9(8)12-10-4-2-3-5-11-10/h8-10H,2-7H2,1H3/t8-,9+,10?/m1/s1.
What are the key properties of 2-[(3R,4S)-4-methylthiolan-3-yl]oxyoxane?
2-[(3R,4S)-4-methylthiolan-3-yl]oxyoxane has a molecular weight of 202.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-4-methylthiolan-3-yl]oxyoxane is sourced from PubChem (CID 10397957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).