2-methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane

C8H18OS2 — CID 134565697

IUPAC2-methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane
SMILESCSCC(C)(C)OC(C)SC
InChIInChI=1S/C8H18OS2/c1-7(11-5)9-8(2,3)6-10-4/h7H,6H2,1-5H3
InChIKeyPDAKLNIJWDETQP-UHFFFAOYSA-N
MW194.36 g/mol
LogP2.85
Rot. Bonds5

About 2-methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane

2-methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane (PubChem CID 134565697) has the molecular formula C8H18OS2 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane
PubChem CID134565697
Molecular FormulaC8H18OS2
Molecular Weight194.36 g/mol
Exact Mass194.08
IUPAC Name2-methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane
SMILESCSCC(C)(C)OC(C)SC
InChIInChI=1S/C8H18OS2/c1-7(11-5)9-8(2,3)6-10-4/h7H,6H2,1-5H3
InChIKeyPDAKLNIJWDETQP-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 52.85
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-methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane 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-methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane?
The IUPAC name of 2-methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane (CID 134565697) is 2-methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane?
The canonical SMILES for 2-methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane is CSCC(C)(C)OC(C)SC.
What is the InChIKey of 2-methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane?
The InChIKey is PDAKLNIJWDETQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS2/c1-7(11-5)9-8(2,3)6-10-4/h7H,6H2,1-5H3.
What are the key properties of 2-methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane?
2-methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane has a molecular weight of 194.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane is sourced from PubChem (CID 134565697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).