1,3-dioxolane;thiolane 1,1-dioxide

C7H14O4S — CID 67851911

IUPAC1,3-dioxolane;thiolane 1,1-dioxide
SMILESC1COCO1.O=S1(=O)CCCC1
InChIInChI=1S/C4H8O2S.C3H6O2/c5-7(6)3-1-2-4-7;1-2-5-3-4-1/h1-4H2;1-3H2
InChIKeyFTGRDSJQJIGKBV-UHFFFAOYSA-N
MW194.25 g/mol
LogP0.19
Rot. Bonds

About 1,3-dioxolane;thiolane 1,1-dioxide

1,3-dioxolane;thiolane 1,1-dioxide (PubChem CID 67851911) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is 1,3-dioxolane;thiolane 1,1-dioxide.

Molecular Properties

Compound Name1,3-dioxolane;thiolane 1,1-dioxide
PubChem CID67851911
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name1,3-dioxolane;thiolane 1,1-dioxide
SMILESC1COCO1.O=S1(=O)CCCC1
InChIInChI=1S/C4H8O2S.C3H6O2/c5-7(6)3-1-2-4-7;1-2-5-3-4-1/h1-4H2;1-3H2
InChIKeyFTGRDSJQJIGKBV-UHFFFAOYSA-N
XLogP0.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolane;thiolane 1,1-dioxide?
The IUPAC name of 1,3-dioxolane;thiolane 1,1-dioxide (CID 67851911) is 1,3-dioxolane;thiolane 1,1-dioxide.
What is the SMILES notation for 1,3-dioxolane;thiolane 1,1-dioxide?
The canonical SMILES for 1,3-dioxolane;thiolane 1,1-dioxide is C1COCO1.O=S1(=O)CCCC1.
What is the InChIKey of 1,3-dioxolane;thiolane 1,1-dioxide?
The InChIKey is FTGRDSJQJIGKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S.C3H6O2/c5-7(6)3-1-2-4-7;1-2-5-3-4-1/h1-4H2;1-3H2.
What are the key properties of 1,3-dioxolane;thiolane 1,1-dioxide?
1,3-dioxolane;thiolane 1,1-dioxide has a molecular weight of 194.25 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolane;thiolane 1,1-dioxide is sourced from PubChem (CID 67851911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).