2,3,4-trimethoxy-5-(methoxymethyl)thiolane

C9H18O4S — CID 6420579

IUPAC2,3,4-trimethoxy-5-(methoxymethyl)thiolane
SMILESCOCC1SC(OC)C(OC)C1OC
InChIInChI=1S/C9H18O4S/c1-10-5-6-7(11-2)8(12-3)9(13-4)14-6/h6-9H,5H2,1-4H3
InChIKeyMKWIGTJHRPFLGN-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.75
Rot. Bonds5

About 2,3,4-trimethoxy-5-(methoxymethyl)thiolane

2,3,4-trimethoxy-5-(methoxymethyl)thiolane (PubChem CID 6420579) has the molecular formula C9H18O4S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2,3,4-trimethoxy-5-(methoxymethyl)thiolane.

Molecular Properties

Compound Name2,3,4-trimethoxy-5-(methoxymethyl)thiolane
PubChem CID6420579
Molecular FormulaC9H18O4S
Molecular Weight222.31 g/mol
Exact Mass222.09
IUPAC Name2,3,4-trimethoxy-5-(methoxymethyl)thiolane
SMILESCOCC1SC(OC)C(OC)C1OC
InChIInChI=1S/C9H18O4S/c1-10-5-6-7(11-2)8(12-3)9(13-4)14-6/h6-9H,5H2,1-4H3
InChIKeyMKWIGTJHRPFLGN-UHFFFAOYSA-N
XLogP0.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3S,4R)-3,4-diacetyloxy-5-methoxythiolan-2-yl]methyl acetate
CID 15538301
[(2R,3R,4R)-3,4-diacetyloxy-5-ethylsulfanyloxolan-2-yl]methyl acetate
CID 11461356
[(2R,3S,4R)-3,4,5-triacetyloxythiolan-2-yl]methyl acetate
CID 53705621
(2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane
CID 58566906
(2R,3S,4S)-3,4-dibutoxy-2-(butoxymethyl)thiolane
CID 68311428
(2S,3R,4R)-3,4-dibutoxy-2-(butoxymethyl)thiolane
CID 68343769
(2R)-3,4-dibutoxy-2-(butoxymethyl)thiolane
CID 68343865
(2R,3S,4R)-3,4-dibutoxy-2-(butoxymethyl)thiolane
CID 68345877
(3S)-3,4-dibutoxy-2-(butoxymethyl)thiolane
CID 71010743
(2S,4S)-3,4-dibutoxy-2-(butoxymethyl)thiolane
CID 71166647
(2R,3R,4S)-3,4-dibutoxy-2-(butoxymethyl)thiolane
CID 71166661
(3S,4S)-3,4-dibutoxy-2-(butoxymethyl)thiolane
CID 71189298

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-5-(methoxymethyl)thiolane?
The IUPAC name of 2,3,4-trimethoxy-5-(methoxymethyl)thiolane (CID 6420579) is 2,3,4-trimethoxy-5-(methoxymethyl)thiolane.
What is the SMILES notation for 2,3,4-trimethoxy-5-(methoxymethyl)thiolane?
The canonical SMILES for 2,3,4-trimethoxy-5-(methoxymethyl)thiolane is COCC1SC(OC)C(OC)C1OC.
What is the InChIKey of 2,3,4-trimethoxy-5-(methoxymethyl)thiolane?
The InChIKey is MKWIGTJHRPFLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4S/c1-10-5-6-7(11-2)8(12-3)9(13-4)14-6/h6-9H,5H2,1-4H3.
What are the key properties of 2,3,4-trimethoxy-5-(methoxymethyl)thiolane?
2,3,4-trimethoxy-5-(methoxymethyl)thiolane has a molecular weight of 222.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-5-(methoxymethyl)thiolane is sourced from PubChem (CID 6420579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).