(1E)-1-(trisulfanyl)hexa-1,5-diene

C6H10S3 — CID 157009856

IUPAC(1E)-1-(trisulfanyl)hexa-1,5-diene
SMILESC=CCC/C=C/SSS
InChIInChI=1S/C6H10S3/c1-2-3-4-5-6-8-9-7/h2,5-7H,1,3-4H2/b6-5+
InChIKeyUHZPAMDDFODOJH-AATRIKPKSA-N
MW178.35 g/mol
LogP3.69
Rot. Bonds5

About (1E)-1-(trisulfanyl)hexa-1,5-diene

(1E)-1-(trisulfanyl)hexa-1,5-diene (PubChem CID 157009856) has the molecular formula C6H10S3 and a molecular weight of 178.35 g/mol. Its IUPAC name is (1E)-1-(trisulfanyl)hexa-1,5-diene.

Molecular Properties

Compound Name(1E)-1-(trisulfanyl)hexa-1,5-diene
PubChem CID157009856
Molecular FormulaC6H10S3
Molecular Weight178.35 g/mol
Exact Mass177.99
IUPAC Name(1E)-1-(trisulfanyl)hexa-1,5-diene
SMILESC=CCC/C=C/SSS
InChIInChI=1S/C6H10S3/c1-2-3-4-5-6-8-9-7/h2,5-7H,1,3-4H2/b6-5+
InChIKeyUHZPAMDDFODOJH-AATRIKPKSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (1E)-1-(trisulfanyl)hexa-1,5-diene 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 (1E)-1-(trisulfanyl)hexa-1,5-diene?
The IUPAC name of (1E)-1-(trisulfanyl)hexa-1,5-diene (CID 157009856) is (1E)-1-(trisulfanyl)hexa-1,5-diene.
What is the SMILES notation for (1E)-1-(trisulfanyl)hexa-1,5-diene?
The canonical SMILES for (1E)-1-(trisulfanyl)hexa-1,5-diene is C=CCC/C=C/SSS.
What is the InChIKey of (1E)-1-(trisulfanyl)hexa-1,5-diene?
The InChIKey is UHZPAMDDFODOJH-AATRIKPKSA-N. The full InChI is InChI=1S/C6H10S3/c1-2-3-4-5-6-8-9-7/h2,5-7H,1,3-4H2/b6-5+.
What are the key properties of (1E)-1-(trisulfanyl)hexa-1,5-diene?
(1E)-1-(trisulfanyl)hexa-1,5-diene has a molecular weight of 178.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(trisulfanyl)hexa-1,5-diene is sourced from PubChem (CID 157009856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).