2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol

C7H16O4S — CID 87134161

IUPAC2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol
SMILESCOC(S)COCCOCCO
InChIInChI=1S/C7H16O4S/c1-9-7(12)6-11-5-4-10-3-2-8/h7-8,12H,2-6H2,1H3
InChIKeyFAIRAHURRCKXQZ-UHFFFAOYSA-N
MW196.27 g/mol
LogP-0.09
Rot. Bonds8

About 2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol

2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol (PubChem CID 87134161) has the molecular formula C7H16O4S and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol
PubChem CID87134161
Molecular FormulaC7H16O4S
Molecular Weight196.27 g/mol
Exact Mass196.08
IUPAC Name2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol
SMILESCOC(S)COCCOCCO
InChIInChI=1S/C7H16O4S/c1-9-7(12)6-11-5-4-10-3-2-8/h7-8,12H,2-6H2,1H3
InChIKeyFAIRAHURRCKXQZ-UHFFFAOYSA-N
XLogP-0.09
TPSA47.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol 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-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol
CID 178070711
2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 90384666
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-methoxypropan-2-ol
CID 88655335
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;2-sulfanylacetic acid
CID 175590705
azane;2-(2-hydroxyethoxy)-1-methoxyethanol
CID 90384460

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol (CID 87134161) is 2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol is COC(S)COCCOCCO.
What is the InChIKey of 2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol?
The InChIKey is FAIRAHURRCKXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4S/c1-9-7(12)6-11-5-4-10-3-2-8/h7-8,12H,2-6H2,1H3.
What are the key properties of 2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol?
2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol has a molecular weight of 196.27 g/mol, XLogP of -0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-2-sulfanylethoxy)ethoxy]ethanol is sourced from PubChem (CID 87134161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).