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

C10H22OS2 — CID 14249167

IUPAC1-[2-(2-propylsulfanylethoxy)ethylsulfanyl]propane
SMILESCCCSCCOCCSCCC
InChIInChI=1S/C10H22OS2/c1-3-7-12-9-5-11-6-10-13-8-4-2/h3-10H2,1-2H3
InChIKeyQIMKIVMZWPIENX-UHFFFAOYSA-N
MW222.42 g/mol
LogP3.29
Rot. Bonds10

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

1-[2-(2-propylsulfanylethoxy)ethylsulfanyl]propane (PubChem CID 14249167) has the molecular formula C10H22OS2 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-[2-(2-propylsulfanylethoxy)ethylsulfanyl]propane.

Molecular Properties

Compound Name1-[2-(2-propylsulfanylethoxy)ethylsulfanyl]propane
PubChem CID14249167
Molecular FormulaC10H22OS2
Molecular Weight222.42 g/mol
Exact Mass222.11
IUPAC Name1-[2-(2-propylsulfanylethoxy)ethylsulfanyl]propane
SMILESCCCSCCOCCSCCC
InChIInChI=1S/C10H22OS2/c1-3-7-12-9-5-11-6-10-13-8-4-2/h3-10H2,1-2H3
InChIKeyQIMKIVMZWPIENX-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2-propyl-1,3-oxathiane
CID 46195362
Dibutylxanthate
CID 12326086
1,7-Dioxa-4,10-dithiacyclododecane
CID 520439
(1S,11R)-13-oxa-3,6,9,15-tetrathiabicyclo[9.3.1]pentadecane
CID 373834
bis-(2-Ethoxyethyl) sulfide
CID 54290232
6-Oxa-3,9-dithiaundecane
CID 560429
1-(Butylsulfanyl)-2-ethoxyethane
CID 20272639
1-Oxa-4,7,10-trithiacyclododecane
CID 528227
3,18-Dioxa-6,9,12,15-tetrathiaicosane
CID 5171446
2,4,6-Triethyl-1,3,5-oxadithiane
CID 131752465
Bis-(ethylthio)ethyl ether
CID 12283273
n-Amyl xanthate
CID 14324980

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propylsulfanylethoxy)ethylsulfanyl]propane?
The IUPAC name of 1-[2-(2-propylsulfanylethoxy)ethylsulfanyl]propane (CID 14249167) is 1-[2-(2-propylsulfanylethoxy)ethylsulfanyl]propane.
What is the SMILES notation for 1-[2-(2-propylsulfanylethoxy)ethylsulfanyl]propane?
The canonical SMILES for 1-[2-(2-propylsulfanylethoxy)ethylsulfanyl]propane is CCCSCCOCCSCCC.
What is the InChIKey of 1-[2-(2-propylsulfanylethoxy)ethylsulfanyl]propane?
The InChIKey is QIMKIVMZWPIENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS2/c1-3-7-12-9-5-11-6-10-13-8-4-2/h3-10H2,1-2H3.
What are the key properties of 1-[2-(2-propylsulfanylethoxy)ethylsulfanyl]propane?
1-[2-(2-propylsulfanylethoxy)ethylsulfanyl]propane has a molecular weight of 222.42 g/mol, XLogP of 3.29, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propylsulfanylethoxy)ethylsulfanyl]propane is sourced from PubChem (CID 14249167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).