2,2-dimethyl-1,3-oxathiolane 3,3-dioxide

C5H10O3S — CID 12629503

IUPAC2,2-dimethyl-1,3-oxathiolane 3,3-dioxide
SMILESCC1(C)OCCS1(=O)=O
InChIInChI=1S/C5H10O3S/c1-5(2)8-3-4-9(5,6)7/h3-4H2,1-2H3
InChIKeyUIISDXGPAACWEP-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.17
Rot. Bonds

About 2,2-dimethyl-1,3-oxathiolane 3,3-dioxide

2,2-dimethyl-1,3-oxathiolane 3,3-dioxide (PubChem CID 12629503) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-oxathiolane 3,3-dioxide.

Molecular Properties

Compound Name2,2-dimethyl-1,3-oxathiolane 3,3-dioxide
PubChem CID12629503
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name2,2-dimethyl-1,3-oxathiolane 3,3-dioxide
SMILESCC1(C)OCCS1(=O)=O
InChIInChI=1S/C5H10O3S/c1-5(2)8-3-4-9(5,6)7/h3-4H2,1-2H3
InChIKeyUIISDXGPAACWEP-UHFFFAOYSA-N
XLogP0.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Butoxytetrahydrothiophene 1,1-dioxide
CID 350450
3-Methoxy-1lambda~6~-thiolane-1,1-dione
CID 287365
3-(Methylpropoxy)thiolane-1,1-dione
CID 2831209
ST50179549
CID 3813693
4,4-Dimethyl-1,3-oxathiolane 3,3-dioxide
CID 12517152
Isopropyloxysulfolane
CID 18508821
Methoxysulfolane
CID 53796559
Butoxysulfolane
CID 129785244
Ethoxysulfolane
CID 129789412
(R,S)-3-Methoxy-tetrahydro-thiophene 1,1-dioxide
CID 25021891
3-Isopropoxytetrahydrothiophene 1,1-dioxide
CID 261583
2-Deuterio-4,4-dimethyl-1,3-oxathiolane 3,3-dioxide
CID 12517153

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-oxathiolane 3,3-dioxide?
The IUPAC name of 2,2-dimethyl-1,3-oxathiolane 3,3-dioxide (CID 12629503) is 2,2-dimethyl-1,3-oxathiolane 3,3-dioxide.
What is the SMILES notation for 2,2-dimethyl-1,3-oxathiolane 3,3-dioxide?
The canonical SMILES for 2,2-dimethyl-1,3-oxathiolane 3,3-dioxide is CC1(C)OCCS1(=O)=O.
What is the InChIKey of 2,2-dimethyl-1,3-oxathiolane 3,3-dioxide?
The InChIKey is UIISDXGPAACWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-5(2)8-3-4-9(5,6)7/h3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-oxathiolane 3,3-dioxide?
2,2-dimethyl-1,3-oxathiolane 3,3-dioxide has a molecular weight of 150.20 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-oxathiolane 3,3-dioxide is sourced from PubChem (CID 12629503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).