1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfanylpropane

C9H16S3 — CID 526194

IUPAC1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfanylpropane
SMILESCC=CSSC(CC)SC=CC
InChIInChI=1S/C9H16S3/c1-4-7-10-9(6-3)12-11-8-5-2/h4-5,7-9H,6H2,1-3H3
InChIKeyYFTPKQUIYROJDX-UHFFFAOYSA-N
MW220.43 g/mol
LogP4.90
Rot. Bonds6

About 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfanylpropane

1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfanylpropane (PubChem CID 526194) has the molecular formula C9H16S3 and a molecular weight of 220.43 g/mol. Its IUPAC name is 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfanylpropane.

Molecular Properties

Compound Name1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfanylpropane
PubChem CID526194
Molecular FormulaC9H16S3
Molecular Weight220.43 g/mol
Exact Mass220.04
IUPAC Name1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfanylpropane
SMILESCC=CSSC(CC)SC=CC
InChIInChI=1S/C9H16S3/c1-4-7-10-9(6-3)12-11-8-5-2/h4-5,7-9H,6H2,1-3H3
InChIKeyYFTPKQUIYROJDX-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.43
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfanylpropane 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 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfanylpropane?
The IUPAC name of 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfanylpropane (CID 526194) is 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfanylpropane.
What is the SMILES notation for 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfanylpropane?
The canonical SMILES for 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfanylpropane is CC=CSSC(CC)SC=CC.
What is the InChIKey of 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfanylpropane?
The InChIKey is YFTPKQUIYROJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S3/c1-4-7-10-9(6-3)12-11-8-5-2/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfanylpropane?
1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfanylpropane has a molecular weight of 220.43 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-1-enyldisulfanyl)-1-prop-1-enylsulfanylpropane is sourced from PubChem (CID 526194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).