3-(4-fluorophenyl)-5-phenyldithiadiazole 2-oxide

C13H9FN2OS2 — CID 142771212

IUPAC3-(4-fluorophenyl)-5-phenyldithiadiazole 2-oxide
SMILESO=S1SC(c2ccccc2)=NN1c1ccc(F)cc1
InChIInChI=1S/C13H9FN2OS2/c14-11-6-8-12(9-7-11)16-15-13(18-19(16)17)10-4-2-1-3-5-10/h1-9H
InChIKeyRZCSJYSPAMMGFU-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.32
Rot. Bonds2

About 3-(4-fluorophenyl)-5-phenyldithiadiazole 2-oxide

3-(4-fluorophenyl)-5-phenyldithiadiazole 2-oxide (PubChem CID 142771212) has the molecular formula C13H9FN2OS2 and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-phenyldithiadiazole 2-oxide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-phenyldithiadiazole 2-oxide
PubChem CID142771212
Molecular FormulaC13H9FN2OS2
Molecular Weight292.36 g/mol
Exact Mass292.01
IUPAC Name3-(4-fluorophenyl)-5-phenyldithiadiazole 2-oxide
SMILESO=S1SC(c2ccccc2)=NN1c1ccc(F)cc1
InChIInChI=1S/C13H9FN2OS2/c14-11-6-8-12(9-7-11)16-15-13(18-19(16)17)10-4-2-1-3-5-10/h1-9H
InChIKeyRZCSJYSPAMMGFU-UHFFFAOYSA-N
XLogP3.32
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-5-phenyl-2H-tetrazole
CID 2990094
3-(3,5-Difluorophenyl)-5-phenyldithiadiazole 2-oxide
CID 142771211
3-(4-Nitrophenyl)-5-phenyl-3h-1,2,3,4-dithiadiazole-2-oxide
CID 142771216
2-(3-Fluorophenyl)-5-phenyltetrazole
CID 171524253
3,5-Diphenyldithiadiazole 2-oxide
CID 142771214
3,5-Diphenyltriazaphosphole
CID 14000517
3,5-Diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
CID 134912483
4-[5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-yl]aniline
CID 21157876
3-Fluoro-4-(5-phenyltetrazol-2-yl)benzenecarbothioamide
CID 43657990
4-[5-(3-Fluorophenyl)-1,3,4-thiadiazol-2-yl]phenylamine
CID 49756980
3-[5-(3-Fluorophenyl)-1,3,4-thiadiazol-2-yl]phenylamine
CID 49756981
2-[5-(3-Fluorophenyl)-1,3,4-thiadiazol-2-yl]phenylamine
CID 49756982

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-phenyldithiadiazole 2-oxide?
The IUPAC name of 3-(4-fluorophenyl)-5-phenyldithiadiazole 2-oxide (CID 142771212) is 3-(4-fluorophenyl)-5-phenyldithiadiazole 2-oxide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-phenyldithiadiazole 2-oxide?
The canonical SMILES for 3-(4-fluorophenyl)-5-phenyldithiadiazole 2-oxide is O=S1SC(c2ccccc2)=NN1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-phenyldithiadiazole 2-oxide?
The InChIKey is RZCSJYSPAMMGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS2/c14-11-6-8-12(9-7-11)16-15-13(18-19(16)17)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 3-(4-fluorophenyl)-5-phenyldithiadiazole 2-oxide?
3-(4-fluorophenyl)-5-phenyldithiadiazole 2-oxide has a molecular weight of 292.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-phenyldithiadiazole 2-oxide is sourced from PubChem (CID 142771212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).