2-(thiophen-2-ylmethylidene)-1,3-dithiane

C9H10S3 — CID 15208498

IUPAC2-(thiophen-2-ylmethylidene)-1,3-dithiane
SMILESC(=C1SCCCS1)c1cccs1
InChIInChI=1S/C9H10S3/c1-3-8(10-4-1)7-9-11-5-2-6-12-9/h1,3-4,7H,2,5-6H2
InChIKeyRNAMGLZTIRFLMF-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.92
Rot. Bonds1

About 2-(thiophen-2-ylmethylidene)-1,3-dithiane

2-(thiophen-2-ylmethylidene)-1,3-dithiane (PubChem CID 15208498) has the molecular formula C9H10S3 and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylidene)-1,3-dithiane.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylidene)-1,3-dithiane
PubChem CID15208498
Molecular FormulaC9H10S3
Molecular Weight214.38 g/mol
Exact Mass213.99
IUPAC Name2-(thiophen-2-ylmethylidene)-1,3-dithiane
SMILESC(=C1SCCCS1)c1cccs1
InChIInChI=1S/C9H10S3/c1-3-8(10-4-1)7-9-11-5-2-6-12-9/h1,3-4,7H,2,5-6H2
InChIKeyRNAMGLZTIRFLMF-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(thiophen-2-ylmethylidene)-1,3-dithiane 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-(thiophen-2-ylmethylidene)-1,3-dithiane?
The IUPAC name of 2-(thiophen-2-ylmethylidene)-1,3-dithiane (CID 15208498) is 2-(thiophen-2-ylmethylidene)-1,3-dithiane.
What is the SMILES notation for 2-(thiophen-2-ylmethylidene)-1,3-dithiane?
The canonical SMILES for 2-(thiophen-2-ylmethylidene)-1,3-dithiane is C(=C1SCCCS1)c1cccs1.
What is the InChIKey of 2-(thiophen-2-ylmethylidene)-1,3-dithiane?
The InChIKey is RNAMGLZTIRFLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S3/c1-3-8(10-4-1)7-9-11-5-2-6-12-9/h1,3-4,7H,2,5-6H2.
What are the key properties of 2-(thiophen-2-ylmethylidene)-1,3-dithiane?
2-(thiophen-2-ylmethylidene)-1,3-dithiane has a molecular weight of 214.38 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylidene)-1,3-dithiane is sourced from PubChem (CID 15208498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).