ethene;2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate

C10H18O4S2 — CID 88762694

IUPACethene;2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate
SMILESC=C.CC(S)C(=O)OCCOC(=O)C(C)S
InChIInChI=1S/C8H14O4S2.C2H4/c1-5(13)7(9)11-3-4-12-8(10)6(2)14;1-2/h5-6,13-14H,3-4H2,1-2H3;1-2H2
InChIKeyRMILHEQRADTICS-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.51
Rot. Bonds5

About ethene;2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate

ethene;2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate (PubChem CID 88762694) has the molecular formula C10H18O4S2 and a molecular weight of 266.38 g/mol. Its IUPAC name is ethene;2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate.

Molecular Properties

Compound Nameethene;2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate
PubChem CID88762694
Molecular FormulaC10H18O4S2
Molecular Weight266.38 g/mol
Exact Mass266.06
IUPAC Nameethene;2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate
SMILESC=C.CC(S)C(=O)OCCOC(=O)C(C)S
InChIInChI=1S/C8H14O4S2.C2H4/c1-5(13)7(9)11-3-4-12-8(10)6(2)14;1-2/h5-6,13-14H,3-4H2,1-2H3;1-2H2
InChIKeyRMILHEQRADTICS-UHFFFAOYSA-N
XLogP1.51
TPSA52.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ethylene bis(3-mercaptopropionate)
CID 89735
Propanoic acid, 3-mercapto-, 1,1'-[oxybis(2,1-ethanediyloxy-2,1-ethanediyl)] ester
CID 111689
[(2R)-2-propanoyloxy-3-sulfanylpropyl] propanoate
CID 175668056
Dibutyl(oxo)tin;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
CID 6455799
Ethylene glycol bis[3-[carbomethoxydithio]propionate]]
CID 567214
Ethylene Glycol bis(3-mercaptobutyrate)
CID 15752074
2-[2-(2-Methoxyethoxy)ethoxy]ethyl 2-sulfanylpropanoate
CID 20032080
2-(3-Sulfanylpropanoyloxy)propyl 3-sulfanylpropanoate
CID 20449667
2-[2-(2-Sulfanylbutanoyloxy)ethoxy]ethyl 2-sulfanylbutanoate
CID 20564980
2,3-Bis[(2-sulfanylacetyl)oxy]propyl propanoate
CID 21339613
2-(4-Sulfanylbutanoyloxy)ethyl 4-sulfanylbutanoate
CID 21406833
2-[2-(2-Sulfanylacetyl)oxypropoxy]propyl 2-sulfanylacetate
CID 21527370

Frequently Asked Questions

What is the IUPAC name of ethene;2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate?
The IUPAC name of ethene;2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate (CID 88762694) is ethene;2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate.
What is the SMILES notation for ethene;2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate?
The canonical SMILES for ethene;2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate is C=C.CC(S)C(=O)OCCOC(=O)C(C)S.
What is the InChIKey of ethene;2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate?
The InChIKey is RMILHEQRADTICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S2.C2H4/c1-5(13)7(9)11-3-4-12-8(10)6(2)14;1-2/h5-6,13-14H,3-4H2,1-2H3;1-2H2.
What are the key properties of ethene;2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate?
ethene;2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate has a molecular weight of 266.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate is sourced from PubChem (CID 88762694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).