2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid

C9H18O5S — CID 88598510

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid
SMILESCOCCOCCOCCOCC(=O)S
InChIInChI=1S/C9H18O5S/c1-11-2-3-12-4-5-13-6-7-14-8-9(10)15/h2-8H2,1H3,(H,10,15)
InChIKeyCCFPWWWFWSYEAJ-UHFFFAOYSA-N
MW238.30 g/mol
LogP0.14
Rot. Bonds11

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid (PubChem CID 88598510) has the molecular formula C9H18O5S and a molecular weight of 238.30 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid
PubChem CID88598510
Molecular FormulaC9H18O5S
Molecular Weight238.30 g/mol
Exact Mass238.09
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid
SMILESCOCCOCCOCCOCC(=O)S
InChIInChI=1S/C9H18O5S/c1-11-2-3-12-4-5-13-6-7-14-8-9(10)15/h2-8H2,1H3,(H,10,15)
InChIKeyCCFPWWWFWSYEAJ-UHFFFAOYSA-N
XLogP0.14
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
1,3-bis(2-methoxyethoxy)propan-2-one
CID 14893271
methyl 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694163
2-[2-(2-methoxyethoxy)ethoxy]acetic acid;zinc
CID 87575071
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 89328911
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 129081938
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid (CID 88598510) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid is COCCOCCOCCOCC(=O)S.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid?
The InChIKey is CCFPWWWFWSYEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5S/c1-11-2-3-12-4-5-13-6-7-14-8-9(10)15/h2-8H2,1H3,(H,10,15).
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid has a molecular weight of 238.30 g/mol, XLogP of 0.14, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid is sourced from PubChem (CID 88598510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).