2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate

C8H14O4S2 — CID 20673875

IUPAC2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate
SMILESCSCC(=O)OCCOC(=O)CSC
InChIInChI=1S/C8H14O4S2/c1-13-5-7(9)11-3-4-12-8(10)6-14-2/h3-6H2,1-2H3
InChIKeyRMKQOTKHVYWHLN-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.80
Rot. Bonds7

About 2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate

2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate (PubChem CID 20673875) has the molecular formula C8H14O4S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate.

Molecular Properties

Compound Name2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate
PubChem CID20673875
Molecular FormulaC8H14O4S2
Molecular Weight238.33 g/mol
Exact Mass238.03
IUPAC Name2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate
SMILESCSCC(=O)OCCOC(=O)CSC
InChIInChI=1S/C8H14O4S2/c1-13-5-7(9)11-3-4-12-8(10)6-14-2/h3-6H2,1-2H3
InChIKeyRMKQOTKHVYWHLN-UHFFFAOYSA-N
XLogP0.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.80
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

acetyloxymethyl 2-methylsulfanylacetate;methane
CID 157487366
2-(2-methylsulfanylacetyl)oxyacetate
CID 168744736
cyanomethyl 2-methylsulfanylacetate
CID 13155092
2-anilinoethyl 2-methylsulfanylacetate
CID 70658906
2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate
CID 172537073
2-[2-[2-[2-(carboxymethylsulfanyl)acetyl]oxyethoxy]-2-oxoethyl]sulfanylacetic acid
CID 4282371
2-methylsulfanylethyl 2-hydroxyacetate
CID 127010328
tridecyl 2-(2-oxo-2-tridecoxyethyl)sulfanylacetate
CID 134207809
[(2-methylsulfanylacetyl)oxy-dioctylstannyl] 2-methylsulfanylacetate
CID 139785507
[2,9-dimethyl-9-(2-methylsulfanylacetyl)oxydecan-2-yl] 2-methylsulfanylacetate
CID 59440688
2-butanoyloxyethyl butanoate;methane
CID 161018761
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate?
The IUPAC name of 2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate (CID 20673875) is 2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate.
What is the SMILES notation for 2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate?
The canonical SMILES for 2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate is CSCC(=O)OCCOC(=O)CSC.
What is the InChIKey of 2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate?
The InChIKey is RMKQOTKHVYWHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S2/c1-13-5-7(9)11-3-4-12-8(10)6-14-2/h3-6H2,1-2H3.
What are the key properties of 2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate?
2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate has a molecular weight of 238.33 g/mol, XLogP of 0.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylacetyl)oxyethyl 2-methylsulfanylacetate is sourced from PubChem (CID 20673875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).