4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate

C8H4FN2S3- — CID 3589844

IUPAC4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate
SMILESFc1ccc(-n2nc([S-])sc2=S)cc1
InChIInChI=1S/C8H5FN2S3/c9-5-1-3-6(4-2-5)11-8(13)14-7(12)10-11/h1-4H,(H,10,12)/p-1
InChIKeyAZIREMOINMPUJO-UHFFFAOYSA-M
MW243.33 g/mol
LogP2.71
Rot. Bonds1

About 4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate

4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate (PubChem CID 3589844) has the molecular formula C8H4FN2S3- and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate
PubChem CID3589844
Molecular FormulaC8H4FN2S3-
Molecular Weight243.33 g/mol
Exact Mass242.95
IUPAC Name4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate
SMILESFc1ccc(-n2nc([S-])sc2=S)cc1
InChIInChI=1S/C8H5FN2S3/c9-5-1-3-6(4-2-5)11-8(13)14-7(12)10-11/h1-4H,(H,10,12)/p-1
InChIKeyAZIREMOINMPUJO-UHFFFAOYSA-M
XLogP2.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

bismuthiol II
CID 1810543
5-mercapto-3-phenyl-1,3,4-thiadiazole-2(3h)-thione, potassium salt
CID 2775614
2-[[4-(4-Fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
CID 2568375
Carbazic acid, 2-phenyldithio-, methyl ester
CID 572457
Potassium 2-mercapto-4-phenyl-1,3,4-thiadiazoline-5-thione
CID 23686440
1,3,4-Thiadiazole-2(3H)-thione, 5,5'-dithiobis(3-phenyl-
CID 12263396
3-Phenyl-5-[(E)-phenyldiazenyl]-1,3,4-thiadiazole-2(3H)-thione
CID 71447035
2-{[4-(4-Fluorophenyl)-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}acetic acid
CID 3865181
3-(4-Fluorophenyl)-5-[3-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propylsulfanyl]-1,3,4-thiadiazole-2-thione
CID 16275841
ethyl N-amino-N-(2,5-difluorophenyl)carbamodithioate
CID 19906340
3-(2-Fluorophenyl)-4,5-dimethyl-1,3-thiazole-2-thione
CID 90343176
N-(1-fluoroethenyl)-N-(methylideneamino)aniline
CID 144934354

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate?
The IUPAC name of 4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate (CID 3589844) is 4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate.
What is the SMILES notation for 4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate?
The canonical SMILES for 4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate is Fc1ccc(-n2nc([S-])sc2=S)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate?
The InChIKey is AZIREMOINMPUJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5FN2S3/c9-5-1-3-6(4-2-5)11-8(13)14-7(12)10-11/h1-4H,(H,10,12)/p-1.
What are the key properties of 4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate?
4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate has a molecular weight of 243.33 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate is sourced from PubChem (CID 3589844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).