acetic acid;thiolane 1,1-dioxide

C10H20O8S — CID 162314522

IUPACacetic acid;thiolane 1,1-dioxide
SMILESCC(=O)O.CC(=O)O.CC(=O)O.O=S1(=O)CCCC1
InChIInChI=1S/C4H8O2S.3C2H4O2/c5-7(6)3-1-2-4-7;3*1-2(3)4/h1-4H2;3*1H3,(H,3,4)
InChIKeyRZTUIFVUSTXESP-UHFFFAOYSA-N
MW300.33 g/mol
LogP0.47
Rot. Bonds

About acetic acid;thiolane 1,1-dioxide

acetic acid;thiolane 1,1-dioxide (PubChem CID 162314522) has the molecular formula C10H20O8S and a molecular weight of 300.33 g/mol. Its IUPAC name is acetic acid;thiolane 1,1-dioxide.

Molecular Properties

Compound Nameacetic acid;thiolane 1,1-dioxide
PubChem CID162314522
Molecular FormulaC10H20O8S
Molecular Weight300.33 g/mol
Exact Mass300.09
IUPAC Nameacetic acid;thiolane 1,1-dioxide
SMILESCC(=O)O.CC(=O)O.CC(=O)O.O=S1(=O)CCCC1
InChIInChI=1S/C4H8O2S.3C2H4O2/c5-7(6)3-1-2-4-7;3*1-2(3)4/h1-4H2;3*1H3,(H,3,4)
InChIKeyRZTUIFVUSTXESP-UHFFFAOYSA-N
XLogP0.47
TPSA146.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetic acid;thiolane 1,1-dioxide?
The IUPAC name of acetic acid;thiolane 1,1-dioxide (CID 162314522) is acetic acid;thiolane 1,1-dioxide.
What is the SMILES notation for acetic acid;thiolane 1,1-dioxide?
The canonical SMILES for acetic acid;thiolane 1,1-dioxide is CC(=O)O.CC(=O)O.CC(=O)O.O=S1(=O)CCCC1.
What is the InChIKey of acetic acid;thiolane 1,1-dioxide?
The InChIKey is RZTUIFVUSTXESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S.3C2H4O2/c5-7(6)3-1-2-4-7;3*1-2(3)4/h1-4H2;3*1H3,(H,3,4).
What are the key properties of acetic acid;thiolane 1,1-dioxide?
acetic acid;thiolane 1,1-dioxide has a molecular weight of 300.33 g/mol, XLogP of 0.47, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;thiolane 1,1-dioxide is sourced from PubChem (CID 162314522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).