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

C8H6FN3S — CID 174857402

IUPAC5-(3-fluorophenyl)sulfanyl-1H-1,2,4-triazole
SMILESFc1cccc(Sc2ncn[nH]2)c1
InChIInChI=1S/C8H6FN3S/c9-6-2-1-3-7(4-6)13-8-10-5-11-12-8/h1-5H,(H,10,11,12)
InChIKeyMMKSGKWXSBEXAB-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.10
Rot. Bonds2

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

5-(3-fluorophenyl)sulfanyl-1H-1,2,4-triazole (PubChem CID 174857402) has the molecular formula C8H6FN3S and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(3-fluorophenyl)sulfanyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)sulfanyl-1H-1,2,4-triazole
PubChem CID174857402
Molecular FormulaC8H6FN3S
Molecular Weight195.22 g/mol
Exact Mass195.03
IUPAC Name5-(3-fluorophenyl)sulfanyl-1H-1,2,4-triazole
SMILESFc1cccc(Sc2ncn[nH]2)c1
InChIInChI=1S/C8H6FN3S/c9-6-2-1-3-7(4-6)13-8-10-5-11-12-8/h1-5H,(H,10,11,12)
InChIKeyMMKSGKWXSBEXAB-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

3-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole
CID 719014
2-Fluorobenzyl 1H-1,2,4-triazol-3-yl sulfide
CID 573296
5-(Phenyldithio)-1H-1,2,4-triazole
CID 76329573
3-(3-Fluoro-benzylsulfanyl)-4H-[1,2,4]triazole
CID 4557369
3-(3,4-Difluoro-benzylsulfanyl)-4H-[1,2,4]triazole
CID 5273658
3-[2-(4-fluorophenyl)sulfanylethylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 8010811
5-[(2-fluorophenyl)disulfanyl]-1H-1,2,4-triazole
CID 66561830
5-Phenylsulfanyl-1h-[1,2,4]triazole
CID 3642649
5-(phenylsulfanyl)-4H-1,2,4-triazol-3-amine
CID 20307954
1-Methyl-5-phenylsulfanyl-1,2,4-triazole
CID 14978346
3-[2-(2-fluorophenyl)sulfanylethylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 8024900
3-[4-(Trifluoromethyl)phenylthio]-1,2,4-triazole
CID 22401460

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)sulfanyl-1H-1,2,4-triazole?
The IUPAC name of 5-(3-fluorophenyl)sulfanyl-1H-1,2,4-triazole (CID 174857402) is 5-(3-fluorophenyl)sulfanyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(3-fluorophenyl)sulfanyl-1H-1,2,4-triazole?
The canonical SMILES for 5-(3-fluorophenyl)sulfanyl-1H-1,2,4-triazole is Fc1cccc(Sc2ncn[nH]2)c1.
What is the InChIKey of 5-(3-fluorophenyl)sulfanyl-1H-1,2,4-triazole?
The InChIKey is MMKSGKWXSBEXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3S/c9-6-2-1-3-7(4-6)13-8-10-5-11-12-8/h1-5H,(H,10,11,12).
What are the key properties of 5-(3-fluorophenyl)sulfanyl-1H-1,2,4-triazole?
5-(3-fluorophenyl)sulfanyl-1H-1,2,4-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 5-(3-fluorophenyl)sulfanyl-1H-1,2,4-triazole is sourced from PubChem (CID 174857402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).