but-2-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate

C10H18O4S2 — CID 159571579

IUPACbut-2-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
SMILESCC=CC.O=C(CS)OCCOC(=O)CS
InChIInChI=1S/C6H10O4S2.C4H8/c7-5(3-11)9-1-2-10-6(8)4-12;1-3-4-2/h11-12H,1-4H2;3-4H,1-2H3
InChIKeyMHWQOGDTLNPKSJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.51
Rot. Bonds5

About but-2-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate

but-2-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate (PubChem CID 159571579) has the molecular formula C10H18O4S2 and a molecular weight of 266.38 g/mol. Its IUPAC name is but-2-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate.

Molecular Properties

Compound Namebut-2-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
PubChem CID159571579
Molecular FormulaC10H18O4S2
Molecular Weight266.38 g/mol
Exact Mass266.06
IUPAC Namebut-2-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
SMILESCC=CC.O=C(CS)OCCOC(=O)CS
InChIInChI=1S/C6H10O4S2.C4H8/c7-5(3-11)9-1-2-10-6(8)4-12;1-3-4-2/h11-12H,1-4H2;3-4H,1-2H3
InChIKeyMHWQOGDTLNPKSJ-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

Bis(prop-1-ene);2-(3-sulfanylpropanoyloxy)ethyl 3-sulfanylpropanoate
CID 87065931
Bis(prop-1-ene);2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
CID 87066183
Prop-1-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
CID 87421839
Bis(prop-1-ene);2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate
CID 88536832
Ethene;2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate
CID 88762694
2-(2-Methyl-2-sulfanylpropanoyl)oxyethyl 2-methyl-2-sulfanylpropanoate;bis(prop-1-ene)
CID 118599535
Bis(prop-1-ene);2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate
CID 118599635
3H-dithiole;propyl 2-sulfanylacetate
CID 157565125
disodium;2-acetyloxyethyl acetate;3H-dithiole;hydride
CID 173152439

Frequently Asked Questions

What is the IUPAC name of but-2-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate?
The IUPAC name of but-2-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate (CID 159571579) is but-2-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate.
What is the SMILES notation for but-2-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate?
The canonical SMILES for but-2-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate is CC=CC.O=C(CS)OCCOC(=O)CS.
What is the InChIKey of but-2-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate?
The InChIKey is MHWQOGDTLNPKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S2.C4H8/c7-5(3-11)9-1-2-10-6(8)4-12;1-3-4-2/h11-12H,1-4H2;3-4H,1-2H3.
What are the key properties of but-2-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate?
but-2-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate 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 but-2-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate is sourced from PubChem (CID 159571579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).