[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methanol

C11H12FN3OS — CID 62400373

IUPAC[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methanol
SMILESOCc1cn(CCSc2ccc(F)cc2)nn1
InChIInChI=1S/C11H12FN3OS/c12-9-1-3-11(4-2-9)17-6-5-15-7-10(8-16)13-14-15/h1-4,7,16H,5-6,8H2
InChIKeyRCQSGYCPKDIOSZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.70
Rot. Bonds5

About [1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methanol

[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methanol (PubChem CID 62400373) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is [1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methanol
PubChem CID62400373
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methanol
SMILESOCc1cn(CCSc2ccc(F)cc2)nn1
InChIInChI=1S/C11H12FN3OS/c12-9-1-3-11(4-2-9)17-6-5-15-7-10(8-16)13-14-15/h1-4,7,16H,5-6,8H2
InChIKeyRCQSGYCPKDIOSZ-UHFFFAOYSA-N
XLogP1.70
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(Phenylselanylmethyl)triazol-4-yl]methanol
CID 102311788
(1-(4-(trifluoromethylthio)benzyl)-1H-1,2,3-triazol-4-yl)methanol
CID 67548833
1-[2-(2-Fluorophenyl)sulfanylethyl]triazole-4-carboxylic acid
CID 29082274
1-[2-(4-Fluorophenyl)sulfanylethyl]triazole-4-carboxylic acid
CID 29082332
1-[2-(3,4-Difluorophenyl)sulfanylethyl]triazole-4-carboxylic acid
CID 43345113
1-[2-(2,5-Difluorophenyl)sulfanylethyl]triazole-4-carboxylic acid
CID 43345413
1-[2-(2,4-Difluorophenyl)sulfanylethyl]triazole-4-carboxylic acid
CID 43345416
[1-[2-(2-Fluorophenyl)sulfanylethyl]triazol-4-yl]methanol
CID 55066799
2-[1-[2-(2-Fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
CID 55067235
4-(Bromomethyl)-1-[2-(4-fluorophenyl)sulfanylethyl]triazole
CID 55071343
1-[2-(2,4-Difluorophenyl)sulfinylethyl]triazole-4-carboxylic acid
CID 61301782
1-[2-(3,4-Difluorophenyl)sulfinylethyl]triazole-4-carboxylic acid
CID 61303157

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methanol?
The IUPAC name of [1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methanol (CID 62400373) is [1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methanol is OCc1cn(CCSc2ccc(F)cc2)nn1.
What is the InChIKey of [1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methanol?
The InChIKey is RCQSGYCPKDIOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c12-9-1-3-11(4-2-9)17-6-5-15-7-10(8-16)13-14-15/h1-4,7,16H,5-6,8H2.
What are the key properties of [1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methanol?
[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methanol has a molecular weight of 253.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methanol is sourced from PubChem (CID 62400373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).