1-[2-[2-(2-propylsulfanylethoxy)ethoxy]ethylsulfanyl]propane

C12H26O2S2 — CID 87946724

IUPAC1-[2-[2-(2-propylsulfanylethoxy)ethoxy]ethylsulfanyl]propane
SMILESCCCSCCOCCOCCSCCC
InChIInChI=1S/C12H26O2S2/c1-3-9-15-11-7-13-5-6-14-8-12-16-10-4-2/h3-12H2,1-2H3
InChIKeyKNKBCUUQSCXPIH-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.31
Rot. Bonds13

About 1-[2-[2-(2-propylsulfanylethoxy)ethoxy]ethylsulfanyl]propane

1-[2-[2-(2-propylsulfanylethoxy)ethoxy]ethylsulfanyl]propane (PubChem CID 87946724) has the molecular formula C12H26O2S2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-[2-[2-(2-propylsulfanylethoxy)ethoxy]ethylsulfanyl]propane.

Molecular Properties

Compound Name1-[2-[2-(2-propylsulfanylethoxy)ethoxy]ethylsulfanyl]propane
PubChem CID87946724
Molecular FormulaC12H26O2S2
Molecular Weight266.47 g/mol
Exact Mass266.14
IUPAC Name1-[2-[2-(2-propylsulfanylethoxy)ethoxy]ethylsulfanyl]propane
SMILESCCCSCCOCCOCCSCCC
InChIInChI=1S/C12H26O2S2/c1-3-9-15-11-7-13-5-6-14-8-12-16-10-4-2/h3-12H2,1-2H3
InChIKeyKNKBCUUQSCXPIH-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4,10,13-Tetraoxa-7,16-dithiacyclooctadecane
CID 67527
1,4-Dioxa-7,10-dithiacyclododecane
CID 181662
1-(Butylsulfanyl)-2-ethoxyethane
CID 20272639
5,8,20,23-Tetraoxa-11,14,17-trithiaheptacosane
CID 3325241
1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane
CID 5250405
1,4,7-Trioxa-10,13-dithiacyclopentadecane
CID 12029889
Bis(2-propoxyethyl) sulfide
CID 58332404
1,6,9-Trioxa-3,12-dithiacyclotridecane
CID 129751682
Fluoro-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-dimethyl-lambda4-sulfane
CID 129214776
2-Butylthio-1-(2-butylthioethoxy)ethane
CID 3500241
1-[2-(2-Propylsulfanylethoxy)ethylsulfanyl]propane
CID 14249167
10,13-Dioxa-7,16-dithiadocosane
CID 71405848

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-propylsulfanylethoxy)ethoxy]ethylsulfanyl]propane?
The IUPAC name of 1-[2-[2-(2-propylsulfanylethoxy)ethoxy]ethylsulfanyl]propane (CID 87946724) is 1-[2-[2-(2-propylsulfanylethoxy)ethoxy]ethylsulfanyl]propane.
What is the SMILES notation for 1-[2-[2-(2-propylsulfanylethoxy)ethoxy]ethylsulfanyl]propane?
The canonical SMILES for 1-[2-[2-(2-propylsulfanylethoxy)ethoxy]ethylsulfanyl]propane is CCCSCCOCCOCCSCCC.
What is the InChIKey of 1-[2-[2-(2-propylsulfanylethoxy)ethoxy]ethylsulfanyl]propane?
The InChIKey is KNKBCUUQSCXPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2S2/c1-3-9-15-11-7-13-5-6-14-8-12-16-10-4-2/h3-12H2,1-2H3.
What are the key properties of 1-[2-[2-(2-propylsulfanylethoxy)ethoxy]ethylsulfanyl]propane?
1-[2-[2-(2-propylsulfanylethoxy)ethoxy]ethylsulfanyl]propane has a molecular weight of 266.47 g/mol, XLogP of 3.31, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-propylsulfanylethoxy)ethoxy]ethylsulfanyl]propane is sourced from PubChem (CID 87946724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).