1,3-dioxolan-2-one;thiolane 1,1-dioxide

C7H12O5S — CID 69479132

IUPAC1,3-dioxolan-2-one;thiolane 1,1-dioxide
SMILESO=C1OCCO1.O=S1(=O)CCCC1
InChIInChI=1S/C4H8O2S.C3H4O3/c5-7(6)3-1-2-4-7;4-3-5-1-2-6-3/h1-4H2;1-2H2
InChIKeyKDGCMUQYAIFEKE-UHFFFAOYSA-N
MW208.23 g/mol
LogP0.35
Rot. Bonds

About 1,3-dioxolan-2-one;thiolane 1,1-dioxide

1,3-dioxolan-2-one;thiolane 1,1-dioxide (PubChem CID 69479132) has the molecular formula C7H12O5S and a molecular weight of 208.23 g/mol. Its IUPAC name is 1,3-dioxolan-2-one;thiolane 1,1-dioxide.

Molecular Properties

Compound Name1,3-dioxolan-2-one;thiolane 1,1-dioxide
PubChem CID69479132
Molecular FormulaC7H12O5S
Molecular Weight208.23 g/mol
Exact Mass208.04
IUPAC Name1,3-dioxolan-2-one;thiolane 1,1-dioxide
SMILESO=C1OCCO1.O=S1(=O)CCCC1
InChIInChI=1S/C4H8O2S.C3H4O3/c5-7(6)3-1-2-4-7;4-3-5-1-2-6-3/h1-4H2;1-2H2
InChIKeyKDGCMUQYAIFEKE-UHFFFAOYSA-N
XLogP0.35
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-one;thiolane 1,1-dioxide?
The IUPAC name of 1,3-dioxolan-2-one;thiolane 1,1-dioxide (CID 69479132) is 1,3-dioxolan-2-one;thiolane 1,1-dioxide.
What is the SMILES notation for 1,3-dioxolan-2-one;thiolane 1,1-dioxide?
The canonical SMILES for 1,3-dioxolan-2-one;thiolane 1,1-dioxide is O=C1OCCO1.O=S1(=O)CCCC1.
What is the InChIKey of 1,3-dioxolan-2-one;thiolane 1,1-dioxide?
The InChIKey is KDGCMUQYAIFEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S.C3H4O3/c5-7(6)3-1-2-4-7;4-3-5-1-2-6-3/h1-4H2;1-2H2.
What are the key properties of 1,3-dioxolan-2-one;thiolane 1,1-dioxide?
1,3-dioxolan-2-one;thiolane 1,1-dioxide has a molecular weight of 208.23 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-one;thiolane 1,1-dioxide is sourced from PubChem (CID 69479132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).