ethylsulfanylmethylsulfanylmethylsulfanylethane

C6H14S3 — CID 11412751

IUPACethylsulfanylmethylsulfanylmethylsulfanylethane
SMILESCCSCSCSCC
InChIInChI=1S/C6H14S3/c1-3-7-5-9-6-8-4-2/h3-6H2,1-2H3
InChIKeyPWGVQKLBRDDCBU-UHFFFAOYSA-N
MW182.38 g/mol
LogP3.14
Rot. Bonds6

About ethylsulfanylmethylsulfanylmethylsulfanylethane

ethylsulfanylmethylsulfanylmethylsulfanylethane (PubChem CID 11412751) has the molecular formula C6H14S3 and a molecular weight of 182.38 g/mol. Its IUPAC name is ethylsulfanylmethylsulfanylmethylsulfanylethane.

Molecular Properties

Compound Nameethylsulfanylmethylsulfanylmethylsulfanylethane
PubChem CID11412751
Molecular FormulaC6H14S3
Molecular Weight182.38 g/mol
Exact Mass182.03
IUPAC Nameethylsulfanylmethylsulfanylmethylsulfanylethane
SMILESCCSCSCSCC
InChIInChI=1S/C6H14S3/c1-3-7-5-9-6-8-4-2/h3-6H2,1-2H3
InChIKeyPWGVQKLBRDDCBU-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethylsulfanylmethylsulfanylmethylsulfanylethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethylsulfanylmethylsulfanylmethylsulfanylethane?
The IUPAC name of ethylsulfanylmethylsulfanylmethylsulfanylethane (CID 11412751) is ethylsulfanylmethylsulfanylmethylsulfanylethane.
What is the SMILES notation for ethylsulfanylmethylsulfanylmethylsulfanylethane?
The canonical SMILES for ethylsulfanylmethylsulfanylmethylsulfanylethane is CCSCSCSCC.
What is the InChIKey of ethylsulfanylmethylsulfanylmethylsulfanylethane?
The InChIKey is PWGVQKLBRDDCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S3/c1-3-7-5-9-6-8-4-2/h3-6H2,1-2H3.
What are the key properties of ethylsulfanylmethylsulfanylmethylsulfanylethane?
ethylsulfanylmethylsulfanylmethylsulfanylethane has a molecular weight of 182.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylmethylsulfanylmethylsulfanylethane is sourced from PubChem (CID 11412751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).