2-methyl-3-(2-methyloxolan-3-yl)sulfanyloxolane

C10H18O2S — CID 22472248

IUPAC2-methyl-3-(2-methyloxolan-3-yl)sulfanyloxolane
SMILESCC1OCCC1SC1CCOC1C
InChIInChI=1S/C10H18O2S/c1-7-9(3-5-11-7)13-10-4-6-12-8(10)2/h7-10H,3-6H2,1-2H3
InChIKeySAZPCCMNQCPZAN-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.07
Rot. Bonds2

About 2-methyl-3-(2-methyloxolan-3-yl)sulfanyloxolane

2-methyl-3-(2-methyloxolan-3-yl)sulfanyloxolane (PubChem CID 22472248) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-methyl-3-(2-methyloxolan-3-yl)sulfanyloxolane.

Molecular Properties

Compound Name2-methyl-3-(2-methyloxolan-3-yl)sulfanyloxolane
PubChem CID22472248
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name2-methyl-3-(2-methyloxolan-3-yl)sulfanyloxolane
SMILESCC1OCCC1SC1CCOC1C
InChIInChI=1S/C10H18O2S/c1-7-9(3-5-11-7)13-10-4-6-12-8(10)2/h7-10H,3-6H2,1-2H3
InChIKeySAZPCCMNQCPZAN-UHFFFAOYSA-N
XLogP2.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.07
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-methyloxolan-3-yl)sulfanyloxolane?
The IUPAC name of 2-methyl-3-(2-methyloxolan-3-yl)sulfanyloxolane (CID 22472248) is 2-methyl-3-(2-methyloxolan-3-yl)sulfanyloxolane.
What is the SMILES notation for 2-methyl-3-(2-methyloxolan-3-yl)sulfanyloxolane?
The canonical SMILES for 2-methyl-3-(2-methyloxolan-3-yl)sulfanyloxolane is CC1OCCC1SC1CCOC1C.
What is the InChIKey of 2-methyl-3-(2-methyloxolan-3-yl)sulfanyloxolane?
The InChIKey is SAZPCCMNQCPZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-7-9(3-5-11-7)13-10-4-6-12-8(10)2/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methyloxolan-3-yl)sulfanyloxolane?
2-methyl-3-(2-methyloxolan-3-yl)sulfanyloxolane has a molecular weight of 202.32 g/mol, XLogP of 2.07, 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-methyloxolan-3-yl)sulfanyloxolane is sourced from PubChem (CID 22472248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).