2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane

C9H21O5SSb — CID 173439271

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane
SMILESCOCCOCCOCCOC(=O)CS.[SbH3]
InChIInChI=1S/C9H18O5S.Sb.3H/c1-11-2-3-12-4-5-13-6-7-14-9(10)8-15;;;;/h15H,2-8H2,1H3;;;;
InChIKeyUVBDVLMWVVUEOC-UHFFFAOYSA-N
MW363.09 g/mol
LogP-1.04
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane (PubChem CID 173439271) has the molecular formula C9H21O5SSb and a molecular weight of 363.09 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane
PubChem CID173439271
Molecular FormulaC9H21O5SSb
Molecular Weight363.09 g/mol
Exact Mass362.01
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane
SMILESCOCCOCCOCCOC(=O)CS.[SbH3]
InChIInChI=1S/C9H18O5S.Sb.3H/c1-11-2-3-12-4-5-13-6-7-14-9(10)8-15;;;;/h15H,2-8H2,1H3;;;;
InChIKeyUVBDVLMWVVUEOC-UHFFFAOYSA-N
XLogP-1.04
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate
CID 125484596
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
CID 169082303
2-(2-methoxyethoxy)ethyl 2-(methylamino)acetate
CID 104563542
3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 101101896
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
2-ethoxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 175750178
4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate
CID 25040
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 58409057
bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate
CID 101278877
2-(2-methoxyethoxy)ethyl 2-(2-methoxyethylamino)acetate
CID 104563269
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane (CID 173439271) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane is COCCOCCOCCOC(=O)CS.[SbH3].
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane?
The InChIKey is UVBDVLMWVVUEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5S.Sb.3H/c1-11-2-3-12-4-5-13-6-7-14-9(10)8-15;;;;/h15H,2-8H2,1H3;;;;.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane has a molecular weight of 363.09 g/mol, XLogP of -1.04, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane is sourced from PubChem (CID 173439271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).