4-thiophen-2-yldithiazole-5-thione

C6H3NS4 — CID 44569472

IUPAC4-thiophen-2-yldithiazole-5-thione
SMILESS=c1ssnc1-c1cccs1
InChIInChI=1S/C6H3NS4/c8-6-5(7-11-10-6)4-2-1-3-9-4/h1-3H
InChIKeySXZUVLFPOVQNAI-UHFFFAOYSA-N
MW217.37 g/mol
LogP3.66
Rot. Bonds1

About 4-thiophen-2-yldithiazole-5-thione

4-thiophen-2-yldithiazole-5-thione (PubChem CID 44569472) has the molecular formula C6H3NS4 and a molecular weight of 217.37 g/mol. Its IUPAC name is 4-thiophen-2-yldithiazole-5-thione.

Molecular Properties

Compound Name4-thiophen-2-yldithiazole-5-thione
PubChem CID44569472
Molecular FormulaC6H3NS4
Molecular Weight217.37 g/mol
Exact Mass216.91
IUPAC Name4-thiophen-2-yldithiazole-5-thione
SMILESS=c1ssnc1-c1cccs1
InChIInChI=1S/C6H3NS4/c8-6-5(7-11-10-6)4-2-1-3-9-4/h1-3H
InChIKeySXZUVLFPOVQNAI-UHFFFAOYSA-N
XLogP3.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-thiophen-2-yldithiazole-5-thione with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-Thienyl)ethanone oxime
CID 5324550
ethanone, 1-(2-thienyl)-, oxime, (1Z)-
CID 16061
N,N'-Bis-(1-thiophen-2-yl-ethylidene)-hydrazine
CID 5405580
1-Thiophen-2-yl-ethanone oxime
CID 5324551
1,2-Bis(1-(thiophen-2-yl)ethylidene)hydrazine
CID 5405581
(1E)-1-(2-thienyl)ethanone hydrazone
CID 5875397
Methyl thiophene-2-carbimidothioate
CID 10487134
2-Thiophen-2-yl-4,5-dihydro-1,3-thiazole
CID 12333193
2,2,2-Trifluoro-1-thiophen-2-ylethanimine
CID 60089668
2,2,2-trifluoro-N-iodo-1-thiophen-2-ylethanimine
CID 148479148
N-[1-(3-fluorothiophen-2-yl)ethylidene]thiohydroxylamine
CID 173673640
3,6-Dithiophen-2-yl-2,7-dihydro-1,4,5-thiadiazepine
CID 14451142

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yldithiazole-5-thione?
The IUPAC name of 4-thiophen-2-yldithiazole-5-thione (CID 44569472) is 4-thiophen-2-yldithiazole-5-thione.
What is the SMILES notation for 4-thiophen-2-yldithiazole-5-thione?
The canonical SMILES for 4-thiophen-2-yldithiazole-5-thione is S=c1ssnc1-c1cccs1.
What is the InChIKey of 4-thiophen-2-yldithiazole-5-thione?
The InChIKey is SXZUVLFPOVQNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3NS4/c8-6-5(7-11-10-6)4-2-1-3-9-4/h1-3H.
What are the key properties of 4-thiophen-2-yldithiazole-5-thione?
4-thiophen-2-yldithiazole-5-thione has a molecular weight of 217.37 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yldithiazole-5-thione is sourced from PubChem (CID 44569472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).