2-(1,3-dithiol-2-ylidene)-4-prop-1-enyl-1,3-dithiole

C9H8S4 — CID 85132613

IUPAC2-(1,3-dithiol-2-ylidene)-4-prop-1-enyl-1,3-dithiole
SMILESCC=CC1=CSC(=C2SC=CS2)S1
InChIInChI=1S/C9H8S4/c1-2-3-7-6-12-9(13-7)8-10-4-5-11-8/h2-6H,1H3
InChIKeyKRTGMZCYRDKOMC-UHFFFAOYSA-N
MW244.43 g/mol
LogP4.96
Rot. Bonds1

About 2-(1,3-dithiol-2-ylidene)-4-prop-1-enyl-1,3-dithiole

2-(1,3-dithiol-2-ylidene)-4-prop-1-enyl-1,3-dithiole (PubChem CID 85132613) has the molecular formula C9H8S4 and a molecular weight of 244.43 g/mol. Its IUPAC name is 2-(1,3-dithiol-2-ylidene)-4-prop-1-enyl-1,3-dithiole.

Molecular Properties

Compound Name2-(1,3-dithiol-2-ylidene)-4-prop-1-enyl-1,3-dithiole
PubChem CID85132613
Molecular FormulaC9H8S4
Molecular Weight244.43 g/mol
Exact Mass243.95
IUPAC Name2-(1,3-dithiol-2-ylidene)-4-prop-1-enyl-1,3-dithiole
SMILESCC=CC1=CSC(=C2SC=CS2)S1
InChIInChI=1S/C9H8S4/c1-2-3-7-6-12-9(13-7)8-10-4-5-11-8/h2-6H,1H3
InChIKeyKRTGMZCYRDKOMC-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-dithiol-2-ylidene)-4-prop-1-enyl-1,3-dithiole 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 2-(1,3-dithiol-2-ylidene)-4-prop-1-enyl-1,3-dithiole?
The IUPAC name of 2-(1,3-dithiol-2-ylidene)-4-prop-1-enyl-1,3-dithiole (CID 85132613) is 2-(1,3-dithiol-2-ylidene)-4-prop-1-enyl-1,3-dithiole.
What is the SMILES notation for 2-(1,3-dithiol-2-ylidene)-4-prop-1-enyl-1,3-dithiole?
The canonical SMILES for 2-(1,3-dithiol-2-ylidene)-4-prop-1-enyl-1,3-dithiole is CC=CC1=CSC(=C2SC=CS2)S1.
What is the InChIKey of 2-(1,3-dithiol-2-ylidene)-4-prop-1-enyl-1,3-dithiole?
The InChIKey is KRTGMZCYRDKOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S4/c1-2-3-7-6-12-9(13-7)8-10-4-5-11-8/h2-6H,1H3.
What are the key properties of 2-(1,3-dithiol-2-ylidene)-4-prop-1-enyl-1,3-dithiole?
2-(1,3-dithiol-2-ylidene)-4-prop-1-enyl-1,3-dithiole has a molecular weight of 244.43 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithiol-2-ylidene)-4-prop-1-enyl-1,3-dithiole is sourced from PubChem (CID 85132613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).