2-methyl-3-(2-methylthiolan-3-yl)sulfonylthiolane

C10H18O2S3 — CID 90401553

IUPAC2-methyl-3-(2-methylthiolan-3-yl)sulfonylthiolane
SMILESCC1SCCC1S(=O)(=O)C1CCSC1C
InChIInChI=1S/C10H18O2S3/c1-7-9(3-5-13-7)15(11,12)10-4-6-14-8(10)2/h7-10H,3-6H2,1-2H3
InChIKeyADAMLFUJPFFHGC-UHFFFAOYSA-N
MW266.45 g/mol
LogP2.19
Rot. Bonds2

About 2-methyl-3-(2-methylthiolan-3-yl)sulfonylthiolane

2-methyl-3-(2-methylthiolan-3-yl)sulfonylthiolane (PubChem CID 90401553) has the molecular formula C10H18O2S3 and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-methyl-3-(2-methylthiolan-3-yl)sulfonylthiolane.

Molecular Properties

Compound Name2-methyl-3-(2-methylthiolan-3-yl)sulfonylthiolane
PubChem CID90401553
Molecular FormulaC10H18O2S3
Molecular Weight266.45 g/mol
Exact Mass266.05
IUPAC Name2-methyl-3-(2-methylthiolan-3-yl)sulfonylthiolane
SMILESCC1SCCC1S(=O)(=O)C1CCSC1C
InChIInChI=1S/C10H18O2S3/c1-7-9(3-5-13-7)15(11,12)10-4-6-14-8(10)2/h7-10H,3-6H2,1-2H3
InChIKeyADAMLFUJPFFHGC-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylthiolan-3-yl)sulfonylthiolane?
The IUPAC name of 2-methyl-3-(2-methylthiolan-3-yl)sulfonylthiolane (CID 90401553) is 2-methyl-3-(2-methylthiolan-3-yl)sulfonylthiolane.
What is the SMILES notation for 2-methyl-3-(2-methylthiolan-3-yl)sulfonylthiolane?
The canonical SMILES for 2-methyl-3-(2-methylthiolan-3-yl)sulfonylthiolane is CC1SCCC1S(=O)(=O)C1CCSC1C.
What is the InChIKey of 2-methyl-3-(2-methylthiolan-3-yl)sulfonylthiolane?
The InChIKey is ADAMLFUJPFFHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S3/c1-7-9(3-5-13-7)15(11,12)10-4-6-14-8(10)2/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methylthiolan-3-yl)sulfonylthiolane?
2-methyl-3-(2-methylthiolan-3-yl)sulfonylthiolane has a molecular weight of 266.45 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylthiolan-3-yl)sulfonylthiolane is sourced from PubChem (CID 90401553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).