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

C10H18OS2 — CID 71238535

IUPAC2-methyl-3-(2-methylthiolan-3-yl)oxythiolane
SMILESCC1SCCC1OC1CCSC1C
InChIInChI=1S/C10H18OS2/c1-7-9(3-5-12-7)11-10-4-6-13-8(10)2/h7-10H,3-6H2,1-2H3
InChIKeyZXMDPXKIKVPCCA-UHFFFAOYSA-N
MW218.39 g/mol
LogP2.79
Rot. Bonds2

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

2-methyl-3-(2-methylthiolan-3-yl)oxythiolane (PubChem CID 71238535) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is 2-methyl-3-(2-methylthiolan-3-yl)oxythiolane.

Molecular Properties

Compound Name2-methyl-3-(2-methylthiolan-3-yl)oxythiolane
PubChem CID71238535
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Name2-methyl-3-(2-methylthiolan-3-yl)oxythiolane
SMILESCC1SCCC1OC1CCSC1C
InChIInChI=1S/C10H18OS2/c1-7-9(3-5-12-7)11-10-4-6-13-8(10)2/h7-10H,3-6H2,1-2H3
InChIKeyZXMDPXKIKVPCCA-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylthiolan-3-yl)oxythiolane?
The IUPAC name of 2-methyl-3-(2-methylthiolan-3-yl)oxythiolane (CID 71238535) is 2-methyl-3-(2-methylthiolan-3-yl)oxythiolane.
What is the SMILES notation for 2-methyl-3-(2-methylthiolan-3-yl)oxythiolane?
The canonical SMILES for 2-methyl-3-(2-methylthiolan-3-yl)oxythiolane is CC1SCCC1OC1CCSC1C.
What is the InChIKey of 2-methyl-3-(2-methylthiolan-3-yl)oxythiolane?
The InChIKey is ZXMDPXKIKVPCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS2/c1-7-9(3-5-12-7)11-10-4-6-13-8(10)2/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methylthiolan-3-yl)oxythiolane?
2-methyl-3-(2-methylthiolan-3-yl)oxythiolane has a molecular weight of 218.39 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylthiolan-3-yl)oxythiolane is sourced from PubChem (CID 71238535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).