2-[2-[2-(2-sulfanylacetyl)oxyethoxy]ethoxy]ethyl 2-sulfanylacetate

C10H18O6S2 — CID 15156830

IUPAC2-[2-[2-(2-sulfanylacetyl)oxyethoxy]ethoxy]ethyl 2-sulfanylacetate
SMILESO=C(CS)OCCOCCOCCOC(=O)CS
InChIInChI=1S/C10H18O6S2/c11-9(7-17)15-5-3-13-1-2-14-4-6-16-10(12)8-18/h17-18H,1-8H2
InChIKeyKDPJDOIRAHFSPN-UHFFFAOYSA-N
MW298.38 g/mol
LogP-0.03
Rot. Bonds11

About 2-[2-[2-(2-sulfanylacetyl)oxyethoxy]ethoxy]ethyl 2-sulfanylacetate

2-[2-[2-(2-sulfanylacetyl)oxyethoxy]ethoxy]ethyl 2-sulfanylacetate (PubChem CID 15156830) has the molecular formula C10H18O6S2 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[2-[2-(2-sulfanylacetyl)oxyethoxy]ethoxy]ethyl 2-sulfanylacetate.

Molecular Properties

Compound Name2-[2-[2-(2-sulfanylacetyl)oxyethoxy]ethoxy]ethyl 2-sulfanylacetate
PubChem CID15156830
Molecular FormulaC10H18O6S2
Molecular Weight298.38 g/mol
Exact Mass298.05
IUPAC Name2-[2-[2-(2-sulfanylacetyl)oxyethoxy]ethoxy]ethyl 2-sulfanylacetate
SMILESO=C(CS)OCCOCCOCCOC(=O)CS
InChIInChI=1S/C10H18O6S2/c11-9(7-17)15-5-3-13-1-2-14-4-6-16-10(12)8-18/h17-18H,1-8H2
InChIKeyKDPJDOIRAHFSPN-UHFFFAOYSA-N
XLogP-0.03
TPSA71.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Ethylene di(S-thioacetate)
CID 61059
Ethylene bis(3-mercaptopropionate)
CID 89735
Ethylene glycol, ((dibutylstannylene)dithio)diacetate
CID 9575995
2-(2-Methoxyethoxy)ethyl 2-sulfanylacetate
CID 18369683
Propanoic acid, 3-mercapto-, 1,1'-[oxybis(2,1-ethanediyloxy-2,1-ethanediyl)] ester
CID 111689
Acetic acid, 2-mercapto-, 2-butoxyethyl ester
CID 117979
Ethyl formate--2,2'-[ethane-1,2-diylbis(oxy)]di(ethane-1-thiol) (1/1)
CID 44153039
1,4,10,13-Tetraoxa-7,16-dithiacyclooctadecane-5,9-dione
CID 326438
Ethanol, 2,2',2''-[(methylstannylidyne)tris(thio)]tris-, 1,1',1''-triacetate
CID 100958
8-Oxa-3,5-dithia-4-stannadecan-1-ol, 4,4-dimethyl-9-oxo-, 1-acetate
CID 9576301
1,2,3-Propanetriyl tris(mercaptoacetate)
CID 84738
Dibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
CID 6455799

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-sulfanylacetyl)oxyethoxy]ethoxy]ethyl 2-sulfanylacetate?
The IUPAC name of 2-[2-[2-(2-sulfanylacetyl)oxyethoxy]ethoxy]ethyl 2-sulfanylacetate (CID 15156830) is 2-[2-[2-(2-sulfanylacetyl)oxyethoxy]ethoxy]ethyl 2-sulfanylacetate.
What is the SMILES notation for 2-[2-[2-(2-sulfanylacetyl)oxyethoxy]ethoxy]ethyl 2-sulfanylacetate?
The canonical SMILES for 2-[2-[2-(2-sulfanylacetyl)oxyethoxy]ethoxy]ethyl 2-sulfanylacetate is O=C(CS)OCCOCCOCCOC(=O)CS.
What is the InChIKey of 2-[2-[2-(2-sulfanylacetyl)oxyethoxy]ethoxy]ethyl 2-sulfanylacetate?
The InChIKey is KDPJDOIRAHFSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6S2/c11-9(7-17)15-5-3-13-1-2-14-4-6-16-10(12)8-18/h17-18H,1-8H2.
What are the key properties of 2-[2-[2-(2-sulfanylacetyl)oxyethoxy]ethoxy]ethyl 2-sulfanylacetate?
2-[2-[2-(2-sulfanylacetyl)oxyethoxy]ethoxy]ethyl 2-sulfanylacetate has a molecular weight of 298.38 g/mol, XLogP of -0.03, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-sulfanylacetyl)oxyethoxy]ethoxy]ethyl 2-sulfanylacetate is sourced from PubChem (CID 15156830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).