2-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide

C9H18O4S2 — CID 70631385

IUPAC2-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide
SMILESCC1CCCS1(=O)=O.O=S1(=O)CCCC1
InChIInChI=1S/C5H10O2S.C4H8O2S/c1-5-3-2-4-8(5,6)7;5-7(6)3-1-2-4-7/h5H,2-4H2,1H3;1-4H2
InChIKeyPHGARKNIZDMEQB-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.78
Rot. Bonds

About 2-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide

2-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide (PubChem CID 70631385) has the molecular formula C9H18O4S2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide
PubChem CID70631385
Molecular FormulaC9H18O4S2
Molecular Weight254.37 g/mol
Exact Mass254.06
IUPAC Name2-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide
SMILESCC1CCCS1(=O)=O.O=S1(=O)CCCC1
InChIInChI=1S/C5H10O2S.C4H8O2S/c1-5-3-2-4-8(5,6)7;5-7(6)3-1-2-4-7/h5H,2-4H2,1H3;1-4H2
InChIKeyPHGARKNIZDMEQB-UHFFFAOYSA-N
XLogP0.78
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide?
The IUPAC name of 2-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide (CID 70631385) is 2-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide.
What is the SMILES notation for 2-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide?
The canonical SMILES for 2-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide is CC1CCCS1(=O)=O.O=S1(=O)CCCC1.
What is the InChIKey of 2-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide?
The InChIKey is PHGARKNIZDMEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S.C4H8O2S/c1-5-3-2-4-8(5,6)7;5-7(6)3-1-2-4-7/h5H,2-4H2,1H3;1-4H2.
What are the key properties of 2-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide?
2-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide has a molecular weight of 254.37 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide is sourced from PubChem (CID 70631385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).