2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate

C11H22O2S3Si — CID 102365144

IUPAC2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate
SMILESCCSC(=S)SC(C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H22O2S3Si/c1-6-15-11(14)16-9(2)10(12)13-7-8-17(3,4)5/h9H,6-8H2,1-5H3
InChIKeyYBNNJXMVZCPNRI-UHFFFAOYSA-N
MW310.58 g/mol
LogP4.03
Rot. Bonds6

About 2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate

2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate (PubChem CID 102365144) has the molecular formula C11H22O2S3Si and a molecular weight of 310.58 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate
PubChem CID102365144
Molecular FormulaC11H22O2S3Si
Molecular Weight310.58 g/mol
Exact Mass310.06
IUPAC Name2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate
SMILESCCSC(=S)SC(C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H22O2S3Si/c1-6-15-11(14)16-9(2)10(12)13-7-8-17(3,4)5/h9H,6-8H2,1-5H3
InChIKeyYBNNJXMVZCPNRI-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate 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

Ethyl 2-(2-trimethylsilyl-1,3-dithian-2-yl)acetate
CID 85758970
Ethyl 2-(((ethylthio)carbonothioyl)thio)propanoate
CID 11506966
3-[[Dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl 2-ethoxycarbothioylsulfanylpropanoate
CID 20760681
Propyl 2-(trimethylsilylmethylsulfanyl)acetate
CID 21138656
Ethyl 2-(trimethylsilylmethylsulfanyl)acetate;rutherfordium
CID 59919203
Propyl 2-butylsulfanylcarbothioylsulfanylpropanoate
CID 118200580
Ethyl 2-ethylsulfanylcarbothioylsulfanyl-2-methylpropanoate
CID 141355768
3-[Butoxy(dimethyl)silyl]propyl 2-ethoxycarbothioylsulfanylpropanoate
CID 154612070
Ethyl 3-ethylsulfanylcarbothioylsulfanylpropanoate;methane
CID 158782424
Ethyl 2-(3-trimethylsilylpropylsulfanyl)acetate
CID 160848990
3-(3-Trimethoxysilylpropylsulfanyl)propyl 2-ethoxycarbothioylsulfanylpropanoate
CID 176613939
Ethyl 2-(2-trimethylsilylethylsulfanyl)acetate
CID 10727676

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate?
The IUPAC name of 2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate (CID 102365144) is 2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate.
What is the SMILES notation for 2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate?
The canonical SMILES for 2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate is CCSC(=S)SC(C)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate?
The InChIKey is YBNNJXMVZCPNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2S3Si/c1-6-15-11(14)16-9(2)10(12)13-7-8-17(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate?
2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate has a molecular weight of 310.58 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate is sourced from PubChem (CID 102365144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).