S-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate

C9H18O3S — CID 89371199

IUPACS-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate
SMILESCCOC(C)(C)C(=O)SCCOC
InChIInChI=1S/C9H18O3S/c1-5-12-9(2,3)8(10)13-7-6-11-4/h5-7H2,1-4H3
InChIKeyWTIIPNJKZMGGJZ-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.71
Rot. Bonds6

About S-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate

S-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate (PubChem CID 89371199) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is S-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate.

Molecular Properties

Compound NameS-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate
PubChem CID89371199
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC NameS-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate
SMILESCCOC(C)(C)C(=O)SCCOC
InChIInChI=1S/C9H18O3S/c1-5-12-9(2,3)8(10)13-7-6-11-4/h5-7H2,1-4H3
InChIKeyWTIIPNJKZMGGJZ-UHFFFAOYSA-N
XLogP1.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze S-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate with MolForge

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

Launch Full Analysis

Related Compounds

S-(2-methoxyethyl) 2-(cyclopentylmethoxy)-2-methylpropanethioate
CID 89371267
S-(2-methoxyethyl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanethioate
CID 89371270
S-(2-methoxyethyl) 3-amino-2,2-dimethyl-3-oxopropanethioate
CID 144967678
S-(2-methoxyethyl) 2-cyclopentyloxy-2-methylpropanethioate
CID 89371225
S-(2-methoxyethyl) 2-cyclohexyloxy-2-methylpropanethioate
CID 89371229
S-(2-methoxyethyl) 4-(methoxycarbonylamino)-2,2-dimethylbutanethioate
CID 144606300
S-(2-methoxyethyl) 3-cyclobutyloxy-2,2-dimethylpropanethioate
CID 89371281
4-(2-methoxyethylsulfanyl)-2,2-dimethylbutanoic acid
CID 65252904
1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane
CID 87061041
S-(2-phosphonooxyethyl) 3-hydroxy-2,2-dimethylpropanethioate
CID 174830143
S-[2-(2-hydroxyethoxy)ethyl] 2,2-dimethylpropanethioate
CID 58533816
4-ethoxy-2,4-dimethylpent-1-en-3-one
CID 116710261

Frequently Asked Questions

What is the IUPAC name of S-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate?
The IUPAC name of S-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate (CID 89371199) is S-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate.
What is the SMILES notation for S-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate?
The canonical SMILES for S-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate is CCOC(C)(C)C(=O)SCCOC.
What is the InChIKey of S-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate?
The InChIKey is WTIIPNJKZMGGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-5-12-9(2,3)8(10)13-7-6-11-4/h5-7H2,1-4H3.
What are the key properties of S-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate?
S-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate has a molecular weight of 206.31 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate is sourced from PubChem (CID 89371199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).