ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate

C10H18O4S2 — CID 86061361

IUPACethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate
SMILESCCOC(=O)CSCCSCC(=O)OCC
InChIInChI=1S/C10H18O4S2/c1-3-13-9(11)7-15-5-6-16-8-10(12)14-4-2/h3-8H2,1-2H3
InChIKeyYNUYISPJMRSBDB-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.58
Rot. Bonds9

About ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate

ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate (PubChem CID 86061361) has the molecular formula C10H18O4S2 and a molecular weight of 266.38 g/mol. Its IUPAC name is ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate
PubChem CID86061361
Molecular FormulaC10H18O4S2
Molecular Weight266.38 g/mol
Exact Mass266.06
IUPAC Nameethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate
SMILESCCOC(=O)CSCCSCC(=O)OCC
InChIInChI=1S/C10H18O4S2/c1-3-13-9(11)7-15-5-6-16-8-10(12)14-4-2/h3-8H2,1-2H3
InChIKeyYNUYISPJMRSBDB-UHFFFAOYSA-N
XLogP1.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 2-(3-hydroxy-3-methylbutyl)sulfanylacetate
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ethyl 2-(7-fluoroheptylsulfanyl)acetate
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ethyl 2-(2-phosphonooxyethylsulfanyl)acetate
CID 88896715
ethyl 2-(6-fluorohexylsulfanyl)acetate
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[1-amino-2-(2-ethoxy-2-oxoethyl)sulfanylethylidene]azanium chloride
CID 10680078
ethyl 2-(3-bromo-2-oxopropyl)sulfanylacetate
CID 58875079
ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate
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ethyl 2-bromosulfanylacetate
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1-ethoxy-1-oxo-2-sulfosulfanylethane
CID 13308351

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate?
The IUPAC name of ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate (CID 86061361) is ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate?
The canonical SMILES for ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate is CCOC(=O)CSCCSCC(=O)OCC.
What is the InChIKey of ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate?
The InChIKey is YNUYISPJMRSBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S2/c1-3-13-9(11)7-15-5-6-16-8-10(12)14-4-2/h3-8H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate?
ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate has a molecular weight of 266.38 g/mol, XLogP of 1.58, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate is sourced from PubChem (CID 86061361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).