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

C8H18S3 — CID 15854553

IUPAC1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfanyl)ethane
SMILESCCSCCSCCSCC
InChIInChI=1S/C8H18S3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3
InChIKeyHXWQHTRVLDSEQM-UHFFFAOYSA-N
MW210.43 g/mol
LogP3.23
Rot. Bonds8

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

1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfanyl)ethane (PubChem CID 15854553) has the molecular formula C8H18S3 and a molecular weight of 210.43 g/mol. Its IUPAC name is 1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfanyl)ethane.

Molecular Properties

Compound Name1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfanyl)ethane
PubChem CID15854553
Molecular FormulaC8H18S3
Molecular Weight210.43 g/mol
Exact Mass210.06
IUPAC Name1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfanyl)ethane
SMILESCCSCCSCCSCC
InChIInChI=1S/C8H18S3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3
InChIKeyHXWQHTRVLDSEQM-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.43
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfanyl)ethane?
The IUPAC name of 1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfanyl)ethane (CID 15854553) is 1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfanyl)ethane.
What is the SMILES notation for 1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfanyl)ethane?
The canonical SMILES for 1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfanyl)ethane is CCSCCSCCSCC.
What is the InChIKey of 1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfanyl)ethane?
The InChIKey is HXWQHTRVLDSEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfanyl)ethane?
1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfanyl)ethane has a molecular weight of 210.43 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfanyl)ethane is sourced from PubChem (CID 15854553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).