2-[2-(2-sulfanylpropanoyloxy)ethoxy]ethyl 2-sulfanylpropanoate

C10H18O5S2 — CID 87208198

IUPAC2-[2-(2-sulfanylpropanoyloxy)ethoxy]ethyl 2-sulfanylpropanoate
SMILESCC(S)C(=O)OCCOCCOC(=O)C(C)S
InChIInChI=1S/C10H18O5S2/c1-7(16)9(11)14-5-3-13-4-6-15-10(12)8(2)17/h7-8,16-17H,3-6H2,1-2H3
InChIKeyIJVMLVYWDWJACR-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.73
Rot. Bonds8

About 2-[2-(2-sulfanylpropanoyloxy)ethoxy]ethyl 2-sulfanylpropanoate

2-[2-(2-sulfanylpropanoyloxy)ethoxy]ethyl 2-sulfanylpropanoate (PubChem CID 87208198) has the molecular formula C10H18O5S2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[2-(2-sulfanylpropanoyloxy)ethoxy]ethyl 2-sulfanylpropanoate.

Molecular Properties

Compound Name2-[2-(2-sulfanylpropanoyloxy)ethoxy]ethyl 2-sulfanylpropanoate
PubChem CID87208198
Molecular FormulaC10H18O5S2
Molecular Weight282.38 g/mol
Exact Mass282.06
IUPAC Name2-[2-(2-sulfanylpropanoyloxy)ethoxy]ethyl 2-sulfanylpropanoate
SMILESCC(S)C(=O)OCCOCCOC(=O)C(C)S
InChIInChI=1S/C10H18O5S2/c1-7(16)9(11)14-5-3-13-4-6-15-10(12)8(2)17/h7-8,16-17H,3-6H2,1-2H3
InChIKeyIJVMLVYWDWJACR-UHFFFAOYSA-N
XLogP0.73
TPSA61.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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
Dibutyl 2,2'-dithiodiacetate
CID 90308
2,3-Bis(sulfanyl)propyl propanoate
CID 474241
Ethylene glycol, ((dibutylstannylene)dithio)diacetate
CID 9575995
Propanoic acid, 3-mercapto-, 1,1'-[2-[(3-mercapto-1-oxopropoxy)methyl]-2-methyl-1,3-propanediyl] ester
CID 82541
Propanoic acid, 3,3'-dithiobis-, 1,1'-diethyl ester
CID 74161
2-(2-Methoxyethoxy)ethyl 2-sulfanylacetate
CID 18369683
1,4-Bis(3-mercaptobutyryloxy) butane
CID 57469275
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
8-Oxa-3,5-dithia-4-stannaundecan-1-ol, 4,4-dimethyl-9-oxo-, 1-propanoate
CID 9576330

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-sulfanylpropanoyloxy)ethoxy]ethyl 2-sulfanylpropanoate?
The IUPAC name of 2-[2-(2-sulfanylpropanoyloxy)ethoxy]ethyl 2-sulfanylpropanoate (CID 87208198) is 2-[2-(2-sulfanylpropanoyloxy)ethoxy]ethyl 2-sulfanylpropanoate.
What is the SMILES notation for 2-[2-(2-sulfanylpropanoyloxy)ethoxy]ethyl 2-sulfanylpropanoate?
The canonical SMILES for 2-[2-(2-sulfanylpropanoyloxy)ethoxy]ethyl 2-sulfanylpropanoate is CC(S)C(=O)OCCOCCOC(=O)C(C)S.
What is the InChIKey of 2-[2-(2-sulfanylpropanoyloxy)ethoxy]ethyl 2-sulfanylpropanoate?
The InChIKey is IJVMLVYWDWJACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5S2/c1-7(16)9(11)14-5-3-13-4-6-15-10(12)8(2)17/h7-8,16-17H,3-6H2,1-2H3.
What are the key properties of 2-[2-(2-sulfanylpropanoyloxy)ethoxy]ethyl 2-sulfanylpropanoate?
2-[2-(2-sulfanylpropanoyloxy)ethoxy]ethyl 2-sulfanylpropanoate has a molecular weight of 282.38 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-sulfanylpropanoyloxy)ethoxy]ethyl 2-sulfanylpropanoate is sourced from PubChem (CID 87208198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).