5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione

C11H5FS4 — CID 16640443

IUPAC5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione
SMILESFc1ccc(-c2cc3sc(=S)sc3s2)cc1
InChIInChI=1S/C11H5FS4/c12-7-3-1-6(2-4-7)8-5-9-10(14-8)16-11(13)15-9/h1-5H
InChIKeyAWDHLSJQMMWWLV-UHFFFAOYSA-N
MW284.43 g/mol
LogP5.56
Rot. Bonds1

About 5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione

5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione (PubChem CID 16640443) has the molecular formula C11H5FS4 and a molecular weight of 284.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione.

Molecular Properties

Compound Name5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione
PubChem CID16640443
Molecular FormulaC11H5FS4
Molecular Weight284.43 g/mol
Exact Mass283.93
IUPAC Name5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione
SMILESFc1ccc(-c2cc3sc(=S)sc3s2)cc1
InChIInChI=1S/C11H5FS4/c12-7-3-1-6(2-4-7)8-5-9-10(14-8)16-11(13)15-9/h1-5H
InChIKeyAWDHLSJQMMWWLV-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.43
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Fluorophenyl)thiophene
CID 21894783
2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene
CID 46850753
2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene
CID 15616761
2-[(E)-2-(4-fluorophenyl)ethenyl]-5-thiophen-2-ylthiophene
CID 53329955
2,2'-Bithiophene, 5-phenyl-
CID 454757
3-(4-Fluorophenyl)thiophene
CID 7176329
2-[(4-Fluorophenyl)methyl]thiophene
CID 10583905
1,3-Dithiolane, 2-phenyl-2-(2-thienyl)-
CID 55025
2-Ethylsulfanyl-4-(4-fluorophenyl)thiophene
CID 44392648
4-(4-Fluorophenyl)-2-methylsulfanylthiophene
CID 44392665
4-(3,4-Difluorophenyl)-2-ethylsulfanylthiophene
CID 44392668
Thiophene, 2-ethyl-4-(4-fluorophenyl)-(9CI)
CID 44392720

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione?
The IUPAC name of 5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione (CID 16640443) is 5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione.
What is the SMILES notation for 5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione?
The canonical SMILES for 5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione is Fc1ccc(-c2cc3sc(=S)sc3s2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione?
The InChIKey is AWDHLSJQMMWWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5FS4/c12-7-3-1-6(2-4-7)8-5-9-10(14-8)16-11(13)15-9/h1-5H.
What are the key properties of 5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione?
5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione has a molecular weight of 284.43 g/mol, XLogP of 5.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione is sourced from PubChem (CID 16640443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).