4-[4-(2-fluorophenyl)phenyl]sulfanyl-2H-triazole

C14H10FN3S — CID 155653393

IUPAC4-[4-(2-fluorophenyl)phenyl]sulfanyl-2H-triazole
SMILESFc1ccccc1-c1ccc(Sc2cn[nH]n2)cc1
InChIInChI=1S/C14H10FN3S/c15-13-4-2-1-3-12(13)10-5-7-11(8-6-10)19-14-9-16-18-17-14/h1-9H,(H,16,17,18)
InChIKeyJSZGWLXHGDGOSQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.76
Rot. Bonds3

About 4-[4-(2-fluorophenyl)phenyl]sulfanyl-2H-triazole

4-[4-(2-fluorophenyl)phenyl]sulfanyl-2H-triazole (PubChem CID 155653393) has the molecular formula C14H10FN3S and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)phenyl]sulfanyl-2H-triazole.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)phenyl]sulfanyl-2H-triazole
PubChem CID155653393
Molecular FormulaC14H10FN3S
Molecular Weight271.32 g/mol
Exact Mass271.06
IUPAC Name4-[4-(2-fluorophenyl)phenyl]sulfanyl-2H-triazole
SMILESFc1ccccc1-c1ccc(Sc2cn[nH]n2)cc1
InChIInChI=1S/C14H10FN3S/c15-13-4-2-1-3-12(13)10-5-7-11(8-6-10)19-14-9-16-18-17-14/h1-9H,(H,16,17,18)
InChIKeyJSZGWLXHGDGOSQ-UHFFFAOYSA-N
XLogP3.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-((2-fluorophenyl)thio)-1H-1,2,3-triazole-4-carboxylic acid
CID 155653402
5-((3-fluorophenyl)thio)-1H-1,2,3-triazole-4-carboxylic acid
CID 155653403
5-((4-(trifluoromethyl)phen-yl)thio)-1H-1,2,3-triazole-4-carboxylic acid
CID 155653463
1H-1,2,3-Triazole, 5-[(phenylmethyl)thio]-
CID 12894696
5-(o-tolylthio)-1H-1,2,3-triazole-4-carboxylic acid
CID 54277032
5-(p-tolylthio)-1H-1,2,3-triazole-4-carboxylic acid
CID 57226453
5-(naphthalen-2-ylthio)1H-1,2,3-triazole-4-carboxylic acid
CID 155653449
5-((2,4-dimethylphenyl)thio)-1H-1,2,3-triazole-4-carboxylic acid
CID 155653462
5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole
CID 67643243
4-[(4-Methylphenyl)sulfonyl]-2h-1,2,3-triazole
CID 275838
4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole
CID 71853988
4-[(2-fluorophenyl)methylsulfanyl]-2H-triazole
CID 56735015

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)phenyl]sulfanyl-2H-triazole?
The IUPAC name of 4-[4-(2-fluorophenyl)phenyl]sulfanyl-2H-triazole (CID 155653393) is 4-[4-(2-fluorophenyl)phenyl]sulfanyl-2H-triazole.
What is the SMILES notation for 4-[4-(2-fluorophenyl)phenyl]sulfanyl-2H-triazole?
The canonical SMILES for 4-[4-(2-fluorophenyl)phenyl]sulfanyl-2H-triazole is Fc1ccccc1-c1ccc(Sc2cn[nH]n2)cc1.
What is the InChIKey of 4-[4-(2-fluorophenyl)phenyl]sulfanyl-2H-triazole?
The InChIKey is JSZGWLXHGDGOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3S/c15-13-4-2-1-3-12(13)10-5-7-11(8-6-10)19-14-9-16-18-17-14/h1-9H,(H,16,17,18).
What are the key properties of 4-[4-(2-fluorophenyl)phenyl]sulfanyl-2H-triazole?
4-[4-(2-fluorophenyl)phenyl]sulfanyl-2H-triazole has a molecular weight of 271.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)phenyl]sulfanyl-2H-triazole is sourced from PubChem (CID 155653393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).