2,3-diethoxy-1,4-bis(methylsulfanyl)butane

C10H22O2S2 — CID 59141463

IUPAC2,3-diethoxy-1,4-bis(methylsulfanyl)butane
SMILESCCOC(CSC)C(CSC)OCC
InChIInChI=1S/C10H22O2S2/c1-5-11-9(7-13-3)10(8-14-4)12-6-2/h9-10H,5-8H2,1-4H3
InChIKeyCBEYSLZGNAVEFL-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.52
Rot. Bonds9

About 2,3-diethoxy-1,4-bis(methylsulfanyl)butane

2,3-diethoxy-1,4-bis(methylsulfanyl)butane (PubChem CID 59141463) has the molecular formula C10H22O2S2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2,3-diethoxy-1,4-bis(methylsulfanyl)butane.

Molecular Properties

Compound Name2,3-diethoxy-1,4-bis(methylsulfanyl)butane
PubChem CID59141463
Molecular FormulaC10H22O2S2
Molecular Weight238.42 g/mol
Exact Mass238.11
IUPAC Name2,3-diethoxy-1,4-bis(methylsulfanyl)butane
SMILESCCOC(CSC)C(CSC)OCC
InChIInChI=1S/C10H22O2S2/c1-5-11-9(7-13-3)10(8-14-4)12-6-2/h9-10H,5-8H2,1-4H3
InChIKeyCBEYSLZGNAVEFL-UHFFFAOYSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Propan-2-yloxymethyl)-1,3-oxathiolane-2-thione
CID 86200493
2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)-
CID 5748724
2-Propanol, 1-[1-methyl-2-[1-methyl-2-(methylthio)ethoxy]ethoxy]-
CID 20834287
Fluoro-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-dimethyl-lambda4-sulfane
CID 129214776
1,4-Dioxa-7,11-dithiacyclotridecan-9-ol
CID 5032840
1,4,7,10-Tetraoxa-13,17-dithiacyclononadecane
CID 12250836
5-(Isopropoxymethyl)-1,3-oxathiolane
CID 132277728
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
1,4,7-Trioxa-10,16-dithiacyclooctadecane
CID 12626501

Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxy-1,4-bis(methylsulfanyl)butane?
The IUPAC name of 2,3-diethoxy-1,4-bis(methylsulfanyl)butane (CID 59141463) is 2,3-diethoxy-1,4-bis(methylsulfanyl)butane.
What is the SMILES notation for 2,3-diethoxy-1,4-bis(methylsulfanyl)butane?
The canonical SMILES for 2,3-diethoxy-1,4-bis(methylsulfanyl)butane is CCOC(CSC)C(CSC)OCC.
What is the InChIKey of 2,3-diethoxy-1,4-bis(methylsulfanyl)butane?
The InChIKey is CBEYSLZGNAVEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S2/c1-5-11-9(7-13-3)10(8-14-4)12-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 2,3-diethoxy-1,4-bis(methylsulfanyl)butane?
2,3-diethoxy-1,4-bis(methylsulfanyl)butane has a molecular weight of 238.42 g/mol, XLogP of 2.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxy-1,4-bis(methylsulfanyl)butane is sourced from PubChem (CID 59141463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).