3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate

C10H20O5S — CID 101101896

IUPAC3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
SMILESCOCCOCCOCC(=O)OCCCS
InChIInChI=1S/C10H20O5S/c1-12-4-5-13-6-7-14-9-10(11)15-3-2-8-16/h16H,2-9H2,1H3
InChIKeyRWASWKBVENAYOY-UHFFFAOYSA-N
MW252.33 g/mol
LogP0.53
Rot. Bonds11

About 3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate

3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate (PubChem CID 101101896) has the molecular formula C10H20O5S and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate.

Molecular Properties

Compound Name3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
PubChem CID101101896
Molecular FormulaC10H20O5S
Molecular Weight252.33 g/mol
Exact Mass252.10
IUPAC Name3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
SMILESCOCCOCCOCC(=O)OCCCS
InChIInChI=1S/C10H20O5S/c1-12-4-5-13-6-7-14-9-10(11)15-3-2-8-16/h16H,2-9H2,1H3
InChIKeyRWASWKBVENAYOY-UHFFFAOYSA-N
XLogP0.53
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703098
butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703100
2-hydroxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 89335771
heptyl 2-(2-methoxyethoxy)acetate
CID 18318708
2-ethoxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 175750178
ethyl 2-(3-sulfanylpropoxy)acetate
CID 134600079
butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 18318669
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate
CID 125484596
methyl 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694163
butyl 2-(2-propoxyethoxy)acetate
CID 63684669
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane
CID 173439271
2-[2-(4-sulfanylbutanoyloxy)ethoxy]ethyl 4-sulfanylbutanoate
CID 87477903

Frequently Asked Questions

What is the IUPAC name of 3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate?
The IUPAC name of 3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate (CID 101101896) is 3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate.
What is the SMILES notation for 3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate?
The canonical SMILES for 3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate is COCCOCCOCC(=O)OCCCS.
What is the InChIKey of 3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate?
The InChIKey is RWASWKBVENAYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5S/c1-12-4-5-13-6-7-14-9-10(11)15-3-2-8-16/h16H,2-9H2,1H3.
What are the key properties of 3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate?
3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate has a molecular weight of 252.33 g/mol, XLogP of 0.53, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate is sourced from PubChem (CID 101101896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).