O-[2-(2-ethoxyethoxy)ethyl] butylsulfanylmethanethioate

C11H22O3S2 — CID 57240287

IUPACO-[2-(2-ethoxyethoxy)ethyl] butylsulfanylmethanethioate
SMILESCCCCSC(=S)OCCOCCOCC
InChIInChI=1S/C11H22O3S2/c1-3-5-10-16-11(15)14-9-8-13-7-6-12-4-2/h3-10H2,1-2H3
InChIKeyGGMOINZKPXJBQE-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.87
Rot. Bonds10

About O-[2-(2-ethoxyethoxy)ethyl] butylsulfanylmethanethioate

O-[2-(2-ethoxyethoxy)ethyl] butylsulfanylmethanethioate (PubChem CID 57240287) has the molecular formula C11H22O3S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is O-[2-(2-ethoxyethoxy)ethyl] butylsulfanylmethanethioate.

Molecular Properties

Compound NameO-[2-(2-ethoxyethoxy)ethyl] butylsulfanylmethanethioate
PubChem CID57240287
Molecular FormulaC11H22O3S2
Molecular Weight266.43 g/mol
Exact Mass266.10
IUPAC NameO-[2-(2-ethoxyethoxy)ethyl] butylsulfanylmethanethioate
SMILESCCCCSC(=S)OCCOCCOCC
InChIInChI=1S/C11H22O3S2/c1-3-5-10-16-11(15)14-9-8-13-7-6-12-4-2/h3-10H2,1-2H3
InChIKeyGGMOINZKPXJBQE-UHFFFAOYSA-N
XLogP2.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Carbonodithioic acid, O,O'-1,2-ethanediyl S,S'-bis(1-methylethyl) ester
CID 169087
1,6,9-Trioxa-3,12-dithiacyclotridecane
CID 129751682
Fluoro-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-dimethyl-lambda4-sulfane
CID 129214776
1,4,7,10-Tetraoxa-13,17-dithiacyclononadecane
CID 12250836
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethylsulfanyl]butane
CID 139212637
2-[2-(2-Methoxyethoxy)ethoxy]-1,3-dithiane
CID 14710172
8-Methyl-1,4-dioxa-7,10-dithiacyclododecane
CID 15932813
8-Butyl-1,4-dioxa-7,10-dithiacyclododecane
CID 15932814
6,9-Dioxa-3,12-dithiatetradecane
CID 4197967
O-ethyl 3-ethoxycarbothioylsulfanylpropylsulfanylmethanethioate
CID 12397721
1,4,7-Trioxa-10,16-dithiacyclooctadecane
CID 12626501
O-(2-ethoxyethyl) ethylsulfanylmethanethioate
CID 19827496

Frequently Asked Questions

What is the IUPAC name of O-[2-(2-ethoxyethoxy)ethyl] butylsulfanylmethanethioate?
The IUPAC name of O-[2-(2-ethoxyethoxy)ethyl] butylsulfanylmethanethioate (CID 57240287) is O-[2-(2-ethoxyethoxy)ethyl] butylsulfanylmethanethioate.
What is the SMILES notation for O-[2-(2-ethoxyethoxy)ethyl] butylsulfanylmethanethioate?
The canonical SMILES for O-[2-(2-ethoxyethoxy)ethyl] butylsulfanylmethanethioate is CCCCSC(=S)OCCOCCOCC.
What is the InChIKey of O-[2-(2-ethoxyethoxy)ethyl] butylsulfanylmethanethioate?
The InChIKey is GGMOINZKPXJBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S2/c1-3-5-10-16-11(15)14-9-8-13-7-6-12-4-2/h3-10H2,1-2H3.
What are the key properties of O-[2-(2-ethoxyethoxy)ethyl] butylsulfanylmethanethioate?
O-[2-(2-ethoxyethoxy)ethyl] butylsulfanylmethanethioate has a molecular weight of 266.43 g/mol, XLogP of 2.87, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2-ethoxyethoxy)ethyl] butylsulfanylmethanethioate is sourced from PubChem (CID 57240287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).