4-(3-fluorophenyl)sulfanyl-2H-triazole

C8H6FN3S — CID 155653403

IUPAC4-(3-fluorophenyl)sulfanyl-2H-triazole
SMILESFc1cccc(Sc2cn[nH]n2)c1
InChIInChI=1S/C8H6FN3S/c9-6-2-1-3-7(4-6)13-8-5-10-12-11-8/h1-5H,(H,10,11,12)
InChIKeyAFEIRPWWLRSHDU-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.10
Rot. Bonds2

About 4-(3-fluorophenyl)sulfanyl-2H-triazole

4-(3-fluorophenyl)sulfanyl-2H-triazole (PubChem CID 155653403) has the molecular formula C8H6FN3S and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(3-fluorophenyl)sulfanyl-2H-triazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)sulfanyl-2H-triazole
PubChem CID155653403
Molecular FormulaC8H6FN3S
Molecular Weight195.22 g/mol
Exact Mass195.03
IUPAC Name4-(3-fluorophenyl)sulfanyl-2H-triazole
SMILESFc1cccc(Sc2cn[nH]n2)c1
InChIInChI=1S/C8H6FN3S/c9-6-2-1-3-7(4-6)13-8-5-10-12-11-8/h1-5H,(H,10,11,12)
InChIKeyAFEIRPWWLRSHDU-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.10
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-((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-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole
CID 71456477
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-((4-Bromophenyl)thio)-1H-1,2,3-triazole
CID 117728055
5-((2-chlorophenyl)thio)-1H-1,2,3-triazole-4-carboxylic acid
CID 155653401
5-((4-chlorophenyl)thio)-1H-1,2,3-triazole-4-carboxylic acid
CID 155653507
5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole
CID 67643243
1-H-5-Thiobenzyl-1,2,3-triazole
CID 10012465
4-[(2,3,4,5,6-pentafluorobenzyl)sulfanyl]-2H-1,2,3-triazole
CID 11837139

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)sulfanyl-2H-triazole?
The IUPAC name of 4-(3-fluorophenyl)sulfanyl-2H-triazole (CID 155653403) is 4-(3-fluorophenyl)sulfanyl-2H-triazole.
What is the SMILES notation for 4-(3-fluorophenyl)sulfanyl-2H-triazole?
The canonical SMILES for 4-(3-fluorophenyl)sulfanyl-2H-triazole is Fc1cccc(Sc2cn[nH]n2)c1.
What is the InChIKey of 4-(3-fluorophenyl)sulfanyl-2H-triazole?
The InChIKey is AFEIRPWWLRSHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3S/c9-6-2-1-3-7(4-6)13-8-5-10-12-11-8/h1-5H,(H,10,11,12).
What are the key properties of 4-(3-fluorophenyl)sulfanyl-2H-triazole?
4-(3-fluorophenyl)sulfanyl-2H-triazole has a molecular weight of 195.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)sulfanyl-2H-triazole is sourced from PubChem (CID 155653403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).