2-methyl-2-(2-methylthiolan-2-yl)sulfonylthiolane

C10H18O2S3 — CID 140969878

IUPAC2-methyl-2-(2-methylthiolan-2-yl)sulfonylthiolane
SMILESCC1(S(=O)(=O)C2(C)CCCS2)CCCS1
InChIInChI=1S/C10H18O2S3/c1-9(5-3-7-13-9)15(11,12)10(2)6-4-8-14-10/h3-8H2,1-2H3
InChIKeyLOXHRXCSEWGHQZ-UHFFFAOYSA-N
MW266.45 g/mol
LogP2.89
Rot. Bonds2

About 2-methyl-2-(2-methylthiolan-2-yl)sulfonylthiolane

2-methyl-2-(2-methylthiolan-2-yl)sulfonylthiolane (PubChem CID 140969878) has the molecular formula C10H18O2S3 and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-methyl-2-(2-methylthiolan-2-yl)sulfonylthiolane.

Molecular Properties

Compound Name2-methyl-2-(2-methylthiolan-2-yl)sulfonylthiolane
PubChem CID140969878
Molecular FormulaC10H18O2S3
Molecular Weight266.45 g/mol
Exact Mass266.05
IUPAC Name2-methyl-2-(2-methylthiolan-2-yl)sulfonylthiolane
SMILESCC1(S(=O)(=O)C2(C)CCCS2)CCCS1
InChIInChI=1S/C10H18O2S3/c1-9(5-3-7-13-9)15(11,12)10(2)6-4-8-14-10/h3-8H2,1-2H3
InChIKeyLOXHRXCSEWGHQZ-UHFFFAOYSA-N
XLogP2.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylthiolan-2-yl)sulfonylthiolane?
The IUPAC name of 2-methyl-2-(2-methylthiolan-2-yl)sulfonylthiolane (CID 140969878) is 2-methyl-2-(2-methylthiolan-2-yl)sulfonylthiolane.
What is the SMILES notation for 2-methyl-2-(2-methylthiolan-2-yl)sulfonylthiolane?
The canonical SMILES for 2-methyl-2-(2-methylthiolan-2-yl)sulfonylthiolane is CC1(S(=O)(=O)C2(C)CCCS2)CCCS1.
What is the InChIKey of 2-methyl-2-(2-methylthiolan-2-yl)sulfonylthiolane?
The InChIKey is LOXHRXCSEWGHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S3/c1-9(5-3-7-13-9)15(11,12)10(2)6-4-8-14-10/h3-8H2,1-2H3.
What are the key properties of 2-methyl-2-(2-methylthiolan-2-yl)sulfonylthiolane?
2-methyl-2-(2-methylthiolan-2-yl)sulfonylthiolane has a molecular weight of 266.45 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylthiolan-2-yl)sulfonylthiolane is sourced from PubChem (CID 140969878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).