2-methyl-2-(1,3-oxathiolan-2-yl)-1,3-oxathiolane

C7H12O2S2 — CID 568485

IUPAC2-methyl-2-(1,3-oxathiolan-2-yl)-1,3-oxathiolane
SMILESCC1(C2OCCS2)OCCS1
InChIInChI=1S/C7H12O2S2/c1-7(9-3-5-11-7)6-8-2-4-10-6/h6H,2-5H2,1H3
InChIKeyMNSOXUUZUDONGJ-UHFFFAOYSA-N
MW192.30 g/mol
LogP1.56
Rot. Bonds1

About 2-methyl-2-(1,3-oxathiolan-2-yl)-1,3-oxathiolane

2-methyl-2-(1,3-oxathiolan-2-yl)-1,3-oxathiolane (PubChem CID 568485) has the molecular formula C7H12O2S2 and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-methyl-2-(1,3-oxathiolan-2-yl)-1,3-oxathiolane.

Molecular Properties

Compound Name2-methyl-2-(1,3-oxathiolan-2-yl)-1,3-oxathiolane
PubChem CID568485
Molecular FormulaC7H12O2S2
Molecular Weight192.30 g/mol
Exact Mass192.03
IUPAC Name2-methyl-2-(1,3-oxathiolan-2-yl)-1,3-oxathiolane
SMILESCC1(C2OCCS2)OCCS1
InChIInChI=1S/C7H12O2S2/c1-7(9-3-5-11-7)6-8-2-4-10-6/h6H,2-5H2,1H3
InChIKeyMNSOXUUZUDONGJ-UHFFFAOYSA-N
XLogP1.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,3-oxathiolan-2-yl)-1,3-oxathiolane?
The IUPAC name of 2-methyl-2-(1,3-oxathiolan-2-yl)-1,3-oxathiolane (CID 568485) is 2-methyl-2-(1,3-oxathiolan-2-yl)-1,3-oxathiolane.
What is the SMILES notation for 2-methyl-2-(1,3-oxathiolan-2-yl)-1,3-oxathiolane?
The canonical SMILES for 2-methyl-2-(1,3-oxathiolan-2-yl)-1,3-oxathiolane is CC1(C2OCCS2)OCCS1.
What is the InChIKey of 2-methyl-2-(1,3-oxathiolan-2-yl)-1,3-oxathiolane?
The InChIKey is MNSOXUUZUDONGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S2/c1-7(9-3-5-11-7)6-8-2-4-10-6/h6H,2-5H2,1H3.
What are the key properties of 2-methyl-2-(1,3-oxathiolan-2-yl)-1,3-oxathiolane?
2-methyl-2-(1,3-oxathiolan-2-yl)-1,3-oxathiolane has a molecular weight of 192.30 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,3-oxathiolan-2-yl)-1,3-oxathiolane is sourced from PubChem (CID 568485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).