pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane

C14H10F5N3S — CID 102367699

IUPACpentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(-n2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C14H10F5N3S/c15-23(16,17,18,19)13-8-6-12(7-9-13)22-10-14(20-21-22)11-4-2-1-3-5-11/h1-10H
InChIKeySXPCXTDZYJSBMW-UHFFFAOYSA-N
MW347.31 g/mol
LogP5.59
Rot. Bonds3

About pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane

pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane (PubChem CID 102367699) has the molecular formula C14H10F5N3S and a molecular weight of 347.31 g/mol. Its IUPAC name is pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane
PubChem CID102367699
Molecular FormulaC14H10F5N3S
Molecular Weight347.31 g/mol
Exact Mass347.05
IUPAC Namepentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(-n2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C14H10F5N3S/c15-23(16,17,18,19)13-8-6-12(7-9-13)22-10-14(20-21-22)11-4-2-1-3-5-11/h1-10H
InChIKeySXPCXTDZYJSBMW-UHFFFAOYSA-N
XLogP5.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.31
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane 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-phenyl-4-(4-phenylphenyl)triazole
CID 140714352
[4-(4-phenyltriazol-1-yl)phenyl]borane
CID 143877764
[4-(4-phenyltriazol-1-yl)phenyl]methanediol
CID 140682391
4-phenyl-1-[4-[3,5,7-tris[4-(4-phenyltriazol-1-yl)phenyl]-1-adamantyl]phenyl]triazole
CID 44521623
4-[4-(4-phenyltriazol-1-yl)phenyl]benzonitrile
CID 102418496
4-(4-bromophenyl)-1-phenyltriazole
CID 58349860
carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole
CID 157181337
1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole
CID 175322203
4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 162662895
10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine
CID 118281982
3-[1-(4-phenylphenyl)triazol-4-yl]benzoic acid
CID 156834067
ethane;4-(1-phenyltriazol-4-yl)benzaldehyde
CID 91438948

Frequently Asked Questions

What is the IUPAC name of pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane?
The IUPAC name of pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane (CID 102367699) is pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane is FS(F)(F)(F)(F)c1ccc(-n2cc(-c3ccccc3)nn2)cc1.
What is the InChIKey of pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane?
The InChIKey is SXPCXTDZYJSBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N3S/c15-23(16,17,18,19)13-8-6-12(7-9-13)22-10-14(20-21-22)11-4-2-1-3-5-11/h1-10H.
What are the key properties of pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane?
pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane has a molecular weight of 347.31 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane is sourced from PubChem (CID 102367699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).