4-(4-fluorophenyl)dithiazole-5-thione

C8H4FNS3 — CID 44569470

IUPAC4-(4-fluorophenyl)dithiazole-5-thione
SMILESFc1ccc(-c2nssc2=S)cc1
InChIInChI=1S/C8H4FNS3/c9-6-3-1-5(2-4-6)7-8(11)12-13-10-7/h1-4H
InChIKeyFWVNQQYBDNEWJC-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.74
Rot. Bonds1

About 4-(4-fluorophenyl)dithiazole-5-thione

4-(4-fluorophenyl)dithiazole-5-thione (PubChem CID 44569470) has the molecular formula C8H4FNS3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)dithiazole-5-thione.

Molecular Properties

Compound Name4-(4-fluorophenyl)dithiazole-5-thione
PubChem CID44569470
Molecular FormulaC8H4FNS3
Molecular Weight229.33 g/mol
Exact Mass228.95
IUPAC Name4-(4-fluorophenyl)dithiazole-5-thione
SMILESFc1ccc(-c2nssc2=S)cc1
InChIInChI=1S/C8H4FNS3/c9-6-3-1-5(2-4-6)7-8(11)12-13-10-7/h1-4H
InChIKeyFWVNQQYBDNEWJC-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)dithiazole-5-thione?
The IUPAC name of 4-(4-fluorophenyl)dithiazole-5-thione (CID 44569470) is 4-(4-fluorophenyl)dithiazole-5-thione.
What is the SMILES notation for 4-(4-fluorophenyl)dithiazole-5-thione?
The canonical SMILES for 4-(4-fluorophenyl)dithiazole-5-thione is Fc1ccc(-c2nssc2=S)cc1.
What is the InChIKey of 4-(4-fluorophenyl)dithiazole-5-thione?
The InChIKey is FWVNQQYBDNEWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FNS3/c9-6-3-1-5(2-4-6)7-8(11)12-13-10-7/h1-4H.
What are the key properties of 4-(4-fluorophenyl)dithiazole-5-thione?
4-(4-fluorophenyl)dithiazole-5-thione has a molecular weight of 229.33 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)dithiazole-5-thione is sourced from PubChem (CID 44569470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).