2-[bis(methylsulfanyl)methoxy]-2-methylpropane

C7H16OS2 — CID 101334691

IUPAC2-[bis(methylsulfanyl)methoxy]-2-methylpropane
SMILESCSC(OC(C)(C)C)SC
InChIInChI=1S/C7H16OS2/c1-7(2,3)8-6(9-4)10-5/h6H,1-5H3
InChIKeyYWADFROXPIGUDZ-UHFFFAOYSA-N
MW180.34 g/mol
LogP2.81
Rot. Bonds3

About 2-[bis(methylsulfanyl)methoxy]-2-methylpropane

2-[bis(methylsulfanyl)methoxy]-2-methylpropane (PubChem CID 101334691) has the molecular formula C7H16OS2 and a molecular weight of 180.34 g/mol. Its IUPAC name is 2-[bis(methylsulfanyl)methoxy]-2-methylpropane.

Molecular Properties

Compound Name2-[bis(methylsulfanyl)methoxy]-2-methylpropane
PubChem CID101334691
Molecular FormulaC7H16OS2
Molecular Weight180.34 g/mol
Exact Mass180.06
IUPAC Name2-[bis(methylsulfanyl)methoxy]-2-methylpropane
SMILESCSC(OC(C)(C)C)SC
InChIInChI=1S/C7H16OS2/c1-7(2,3)8-6(9-4)10-5/h6H,1-5H3
InChIKeyYWADFROXPIGUDZ-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[bis(methylsulfanyl)methoxy]-2-methylpropane 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 2-[bis(methylsulfanyl)methoxy]-2-methylpropane?
The IUPAC name of 2-[bis(methylsulfanyl)methoxy]-2-methylpropane (CID 101334691) is 2-[bis(methylsulfanyl)methoxy]-2-methylpropane.
What is the SMILES notation for 2-[bis(methylsulfanyl)methoxy]-2-methylpropane?
The canonical SMILES for 2-[bis(methylsulfanyl)methoxy]-2-methylpropane is CSC(OC(C)(C)C)SC.
What is the InChIKey of 2-[bis(methylsulfanyl)methoxy]-2-methylpropane?
The InChIKey is YWADFROXPIGUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS2/c1-7(2,3)8-6(9-4)10-5/h6H,1-5H3.
What are the key properties of 2-[bis(methylsulfanyl)methoxy]-2-methylpropane?
2-[bis(methylsulfanyl)methoxy]-2-methylpropane has a molecular weight of 180.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(methylsulfanyl)methoxy]-2-methylpropane is sourced from PubChem (CID 101334691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).