2-(2,2-diethoxyethylsulfanyl)propane

C9H20O2S — CID 14974110

IUPAC2-(2,2-diethoxyethylsulfanyl)propane
SMILESCCOC(CSC(C)C)OCC
InChIInChI=1S/C9H20O2S/c1-5-10-9(11-6-2)7-12-8(3)4/h8-9H,5-7H2,1-4H3
InChIKeyQWZQIOJCGMZEDG-UHFFFAOYSA-N
MW192.32 g/mol
LogP2.53
Rot. Bonds7

About 2-(2,2-diethoxyethylsulfanyl)propane

2-(2,2-diethoxyethylsulfanyl)propane (PubChem CID 14974110) has the molecular formula C9H20O2S and a molecular weight of 192.32 g/mol. Its IUPAC name is 2-(2,2-diethoxyethylsulfanyl)propane.

Molecular Properties

Compound Name2-(2,2-diethoxyethylsulfanyl)propane
PubChem CID14974110
Molecular FormulaC9H20O2S
Molecular Weight192.32 g/mol
Exact Mass192.12
IUPAC Name2-(2,2-diethoxyethylsulfanyl)propane
SMILESCCOC(CSC(C)C)OCC
InChIInChI=1S/C9H20O2S/c1-5-10-9(11-6-2)7-12-8(3)4/h8-9H,5-7H2,1-4H3
InChIKeyQWZQIOJCGMZEDG-UHFFFAOYSA-N
XLogP2.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.32
LogP ≤ 52.53
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-(2,2-diethoxyethylsulfanyl)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-(2,2-diethoxyethylsulfanyl)propane?
The IUPAC name of 2-(2,2-diethoxyethylsulfanyl)propane (CID 14974110) is 2-(2,2-diethoxyethylsulfanyl)propane.
What is the SMILES notation for 2-(2,2-diethoxyethylsulfanyl)propane?
The canonical SMILES for 2-(2,2-diethoxyethylsulfanyl)propane is CCOC(CSC(C)C)OCC.
What is the InChIKey of 2-(2,2-diethoxyethylsulfanyl)propane?
The InChIKey is QWZQIOJCGMZEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2S/c1-5-10-9(11-6-2)7-12-8(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-(2,2-diethoxyethylsulfanyl)propane?
2-(2,2-diethoxyethylsulfanyl)propane has a molecular weight of 192.32 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethylsulfanyl)propane is sourced from PubChem (CID 14974110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).