(2R)-1-methoxy-2-methyl-3-methylsulfanylpropane

C6H14OS — CID 89054726

IUPAC(2R)-1-methoxy-2-methyl-3-methylsulfanylpropane
SMILESCOC[C@@H](C)CSC
InChIInChI=1S/C6H14OS/c1-6(4-7-2)5-8-3/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyZSULKNLGRLOEPS-ZCFIWIBFSA-N
MW134.24 g/mol
LogP1.63
Rot. Bonds4

About (2R)-1-methoxy-2-methyl-3-methylsulfanylpropane

(2R)-1-methoxy-2-methyl-3-methylsulfanylpropane (PubChem CID 89054726) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is (2R)-1-methoxy-2-methyl-3-methylsulfanylpropane.

Molecular Properties

Compound Name(2R)-1-methoxy-2-methyl-3-methylsulfanylpropane
PubChem CID89054726
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name(2R)-1-methoxy-2-methyl-3-methylsulfanylpropane
SMILESCOC[C@@H](C)CSC
InChIInChI=1S/C6H14OS/c1-6(4-7-2)5-8-3/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyZSULKNLGRLOEPS-ZCFIWIBFSA-N
XLogP1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-1-methoxy-2-methyl-3-methylsulfanylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-2-methyl-3-methylsulfanylpropane?
The IUPAC name of (2R)-1-methoxy-2-methyl-3-methylsulfanylpropane (CID 89054726) is (2R)-1-methoxy-2-methyl-3-methylsulfanylpropane.
What is the SMILES notation for (2R)-1-methoxy-2-methyl-3-methylsulfanylpropane?
The canonical SMILES for (2R)-1-methoxy-2-methyl-3-methylsulfanylpropane is COC[C@@H](C)CSC.
What is the InChIKey of (2R)-1-methoxy-2-methyl-3-methylsulfanylpropane?
The InChIKey is ZSULKNLGRLOEPS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H14OS/c1-6(4-7-2)5-8-3/h6H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of (2R)-1-methoxy-2-methyl-3-methylsulfanylpropane?
(2R)-1-methoxy-2-methyl-3-methylsulfanylpropane has a molecular weight of 134.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-2-methyl-3-methylsulfanylpropane is sourced from PubChem (CID 89054726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).