1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane

C12H26S5 — CID 121008102

IUPAC1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane
SMILESCCSCCSCCSCCSCCSCC
InChIInChI=1S/C12H26S5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3
InChIKeyKTRYXYVNJGXPBW-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.69
Rot. Bonds14

About 1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane

1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane (PubChem CID 121008102) has the molecular formula C12H26S5 and a molecular weight of 330.68 g/mol. Its IUPAC name is 1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane.

Molecular Properties

Compound Name1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane
PubChem CID121008102
Molecular FormulaC12H26S5
Molecular Weight330.68 g/mol
Exact Mass330.06
IUPAC Name1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane
SMILESCCSCCSCCSCCSCCSCC
InChIInChI=1S/C12H26S5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3
InChIKeyKTRYXYVNJGXPBW-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.68
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylsulfanylethylsulfanyl)ethanol
CID 528228
ethylsulfanylethane;1-ethylsulfanylpropane
CID 91509545
3-(2-ethylsulfanylethylsulfanyl)prop-1-ene
CID 131107230
1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane
CID 56988774
2-[3-[2-(3-ethylsulfanylpropylsulfanyl)ethylsulfanyl]propylsulfanyl]ethane-1,1-diol
CID 154512556
ethylsulfanylethane;propane
CID 159168091
ethylsulfanylethane;phosphane
CID 88694996
2-ethylsulfanylethanamine;hydrochloride
CID 3016870
chloro-triethyl-(2-ethylsulfanylethyl)-λ5-phosphane
CID 153328404
2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethyl]-1,3-dithiole
CID 175164475
1-ethylsulfanyldodecane
CID 534448
1-ethylsulfanyltetradecane
CID 20788610

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane?
The IUPAC name of 1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane (CID 121008102) is 1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane.
What is the SMILES notation for 1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane?
The canonical SMILES for 1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane is CCSCCSCCSCCSCCSCC.
What is the InChIKey of 1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane?
The InChIKey is KTRYXYVNJGXPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26S5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane?
1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane has a molecular weight of 330.68 g/mol, XLogP of 4.69, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane is sourced from PubChem (CID 121008102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).