2-(2-ethylsulfanylethoxy)ethanesulfinic acid

C6H14O3S2 — CID 140919024

IUPAC2-(2-ethylsulfanylethoxy)ethanesulfinic acid
SMILESCCSCCOCCS(=O)O
InChIInChI=1S/C6H14O3S2/c1-2-10-5-3-9-4-6-11(7)8/h2-6H2,1H3,(H,7,8)
InChIKeyRAVGZRMKLYQIEF-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds7

About 2-(2-ethylsulfanylethoxy)ethanesulfinic acid

2-(2-ethylsulfanylethoxy)ethanesulfinic acid (PubChem CID 140919024) has the molecular formula C6H14O3S2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(2-ethylsulfanylethoxy)ethanesulfinic acid.

Molecular Properties

Compound Name2-(2-ethylsulfanylethoxy)ethanesulfinic acid
PubChem CID140919024
Molecular FormulaC6H14O3S2
Molecular Weight198.31 g/mol
Exact Mass198.04
IUPAC Name2-(2-ethylsulfanylethoxy)ethanesulfinic acid
SMILESCCSCCOCCS(=O)O
InChIInChI=1S/C6H14O3S2/c1-2-10-5-3-9-4-6-11(7)8/h2-6H2,1H3,(H,7,8)
InChIKeyRAVGZRMKLYQIEF-UHFFFAOYSA-N
XLogP0.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-ethylsulfanylethoxy)ethanesulfinic acid 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

2-[3-(2-hydroperoxysulfanylethoxy)propoxy]ethanesulfinic acid
CID 20749573
2-(2-ethylsulfanylethoxy)ethanesulfonic acid
CID 140919026
2-(2-ethylsulfanylethoxy)ethylcarbamodithioic acid
CID 3080224
2-[2-(methylamino)ethoxy]ethanesulfinic acid
CID 134379134
tris[2-(2-ethylsulfanylethoxy)ethyl] borate
CID 11812524
ethoxymethanesulfinic acid
CID 57208749
sodium ethanesulfinic acid
CID 19960758
2-ethylsulfanylethyl N-tert-butylcarbamate
CID 174520312
ethane-1,2-disulfinic acid
CID 15180980
1-ethoxy-2-[2-[2-[2-(2-ethoxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethane
CID 5171446
2-(2-propylsulfanylethoxy)ethanol
CID 61074993
2-ethylsulfanylethyl ethanesulfonate
CID 139906268

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylethoxy)ethanesulfinic acid?
The IUPAC name of 2-(2-ethylsulfanylethoxy)ethanesulfinic acid (CID 140919024) is 2-(2-ethylsulfanylethoxy)ethanesulfinic acid.
What is the SMILES notation for 2-(2-ethylsulfanylethoxy)ethanesulfinic acid?
The canonical SMILES for 2-(2-ethylsulfanylethoxy)ethanesulfinic acid is CCSCCOCCS(=O)O.
What is the InChIKey of 2-(2-ethylsulfanylethoxy)ethanesulfinic acid?
The InChIKey is RAVGZRMKLYQIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S2/c1-2-10-5-3-9-4-6-11(7)8/h2-6H2,1H3,(H,7,8).
What are the key properties of 2-(2-ethylsulfanylethoxy)ethanesulfinic acid?
2-(2-ethylsulfanylethoxy)ethanesulfinic acid has a molecular weight of 198.31 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylethoxy)ethanesulfinic acid is sourced from PubChem (CID 140919024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).