5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole

C8H5ClFN3S — CID 141410483

IUPAC5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole
SMILESFc1cccc(Sc2ncn[nH]2)c1Cl
InChIInChI=1S/C8H5ClFN3S/c9-7-5(10)2-1-3-6(7)14-8-11-4-12-13-8/h1-4H,(H,11,12,13)
InChIKeyRKGOSTSDBRGADL-UHFFFAOYSA-N
MW229.67 g/mol
LogP2.75
Rot. Bonds2

About 5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole

5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole (PubChem CID 141410483) has the molecular formula C8H5ClFN3S and a molecular weight of 229.67 g/mol. Its IUPAC name is 5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole
PubChem CID141410483
Molecular FormulaC8H5ClFN3S
Molecular Weight229.67 g/mol
Exact Mass228.99
IUPAC Name5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole
SMILESFc1cccc(Sc2ncn[nH]2)c1Cl
InChIInChI=1S/C8H5ClFN3S/c9-7-5(10)2-1-3-6(7)14-8-11-4-12-13-8/h1-4H,(H,11,12,13)
InChIKeyRKGOSTSDBRGADL-UHFFFAOYSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 728266
5-[(2-fluorophenyl)disulfanyl]-1H-1,2,4-triazole
CID 66561830
5-[(4-chlorophenyl)disulfanyl]-1H-1,2,4-triazole
CID 76318736
5-Phenylsulfanyl-1h-[1,2,4]triazole
CID 3642649
5-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole
CID 14879253
5-(3-fluorophenyl)sulfanyl-1H-1,2,4-triazole
CID 174857402
3-[(2-chloro-4-fluorobenzyl)thio]-4H-1,2,4-triazole
CID 56732071
5-[(4-chloro-3-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 100656764
5-[(2-chloro-5-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 121588649
5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 134065479
5-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]-1H-1,2,4-triazole
CID 7785138
3-(3-Chlorophenylthio)-1,2,4-Triazole
CID 14879419

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole?
The IUPAC name of 5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole (CID 141410483) is 5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole is Fc1cccc(Sc2ncn[nH]2)c1Cl.
What is the InChIKey of 5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole?
The InChIKey is RKGOSTSDBRGADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3S/c9-7-5(10)2-1-3-6(7)14-8-11-4-12-13-8/h1-4H,(H,11,12,13).
What are the key properties of 5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole?
5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole has a molecular weight of 229.67 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole is sourced from PubChem (CID 141410483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).