2-methyl-2-[2-methyl-1-(2-methyloxiran-2-yl)sulfanylpropan-2-yl]sulfanyloxirane

C10H18O2S2 — CID 141043089

IUPAC2-methyl-2-[2-methyl-1-(2-methyloxiran-2-yl)sulfanylpropan-2-yl]sulfanyloxirane
SMILESCC(C)(CSC1(C)CO1)SC1(C)CO1
InChIInChI=1S/C10H18O2S2/c1-8(2,14-10(4)6-12-10)7-13-9(3)5-11-9/h5-7H2,1-4H3
InChIKeyKITSYRKHIXNWFT-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.72
Rot. Bonds5

About 2-methyl-2-[2-methyl-1-(2-methyloxiran-2-yl)sulfanylpropan-2-yl]sulfanyloxirane

2-methyl-2-[2-methyl-1-(2-methyloxiran-2-yl)sulfanylpropan-2-yl]sulfanyloxirane (PubChem CID 141043089) has the molecular formula C10H18O2S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-methyl-2-[2-methyl-1-(2-methyloxiran-2-yl)sulfanylpropan-2-yl]sulfanyloxirane.

Molecular Properties

Compound Name2-methyl-2-[2-methyl-1-(2-methyloxiran-2-yl)sulfanylpropan-2-yl]sulfanyloxirane
PubChem CID141043089
Molecular FormulaC10H18O2S2
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Name2-methyl-2-[2-methyl-1-(2-methyloxiran-2-yl)sulfanylpropan-2-yl]sulfanyloxirane
SMILESCC(C)(CSC1(C)CO1)SC1(C)CO1
InChIInChI=1S/C10H18O2S2/c1-8(2,14-10(4)6-12-10)7-13-9(3)5-11-9/h5-7H2,1-4H3
InChIKeyKITSYRKHIXNWFT-UHFFFAOYSA-N
XLogP2.72
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-methyl-1-(2-methyloxiran-2-yl)sulfanylpropan-2-yl]sulfanyloxirane?
The IUPAC name of 2-methyl-2-[2-methyl-1-(2-methyloxiran-2-yl)sulfanylpropan-2-yl]sulfanyloxirane (CID 141043089) is 2-methyl-2-[2-methyl-1-(2-methyloxiran-2-yl)sulfanylpropan-2-yl]sulfanyloxirane.
What is the SMILES notation for 2-methyl-2-[2-methyl-1-(2-methyloxiran-2-yl)sulfanylpropan-2-yl]sulfanyloxirane?
The canonical SMILES for 2-methyl-2-[2-methyl-1-(2-methyloxiran-2-yl)sulfanylpropan-2-yl]sulfanyloxirane is CC(C)(CSC1(C)CO1)SC1(C)CO1.
What is the InChIKey of 2-methyl-2-[2-methyl-1-(2-methyloxiran-2-yl)sulfanylpropan-2-yl]sulfanyloxirane?
The InChIKey is KITSYRKHIXNWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S2/c1-8(2,14-10(4)6-12-10)7-13-9(3)5-11-9/h5-7H2,1-4H3.
What are the key properties of 2-methyl-2-[2-methyl-1-(2-methyloxiran-2-yl)sulfanylpropan-2-yl]sulfanyloxirane?
2-methyl-2-[2-methyl-1-(2-methyloxiran-2-yl)sulfanylpropan-2-yl]sulfanyloxirane has a molecular weight of 234.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-methyl-1-(2-methyloxiran-2-yl)sulfanylpropan-2-yl]sulfanyloxirane is sourced from PubChem (CID 141043089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).