[1-[2-(2,5-dichlorophenyl)sulfanylethyl]triazol-4-yl]methanol

C11H11Cl2N3OS — CID 55067276

IUPAC[1-[2-(2,5-dichlorophenyl)sulfanylethyl]triazol-4-yl]methanol
SMILESOCc1cn(CCSc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C11H11Cl2N3OS/c12-8-1-2-10(13)11(5-8)18-4-3-16-6-9(7-17)14-15-16/h1-2,5-6,17H,3-4,7H2
InChIKeyRYFSUCSDUHTIKN-UHFFFAOYSA-N
MW304.20 g/mol
LogP2.87
Rot. Bonds5

About [1-[2-(2,5-dichlorophenyl)sulfanylethyl]triazol-4-yl]methanol

[1-[2-(2,5-dichlorophenyl)sulfanylethyl]triazol-4-yl]methanol (PubChem CID 55067276) has the molecular formula C11H11Cl2N3OS and a molecular weight of 304.20 g/mol. Its IUPAC name is [1-[2-(2,5-dichlorophenyl)sulfanylethyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2,5-dichlorophenyl)sulfanylethyl]triazol-4-yl]methanol
PubChem CID55067276
Molecular FormulaC11H11Cl2N3OS
Molecular Weight304.20 g/mol
Exact Mass303.00
IUPAC Name[1-[2-(2,5-dichlorophenyl)sulfanylethyl]triazol-4-yl]methanol
SMILESOCc1cn(CCSc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C11H11Cl2N3OS/c12-8-1-2-10(13)11(5-8)18-4-3-16-6-9(7-17)14-15-16/h1-2,5-6,17H,3-4,7H2
InChIKeyRYFSUCSDUHTIKN-UHFFFAOYSA-N
XLogP2.87
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,5-dichlorophenyl)sulfanylethyl]triazol-4-yl]methanol?
The IUPAC name of [1-[2-(2,5-dichlorophenyl)sulfanylethyl]triazol-4-yl]methanol (CID 55067276) is [1-[2-(2,5-dichlorophenyl)sulfanylethyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(2,5-dichlorophenyl)sulfanylethyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[2-(2,5-dichlorophenyl)sulfanylethyl]triazol-4-yl]methanol is OCc1cn(CCSc2cc(Cl)ccc2Cl)nn1.
What is the InChIKey of [1-[2-(2,5-dichlorophenyl)sulfanylethyl]triazol-4-yl]methanol?
The InChIKey is RYFSUCSDUHTIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3OS/c12-8-1-2-10(13)11(5-8)18-4-3-16-6-9(7-17)14-15-16/h1-2,5-6,17H,3-4,7H2.
What are the key properties of [1-[2-(2,5-dichlorophenyl)sulfanylethyl]triazol-4-yl]methanol?
[1-[2-(2,5-dichlorophenyl)sulfanylethyl]triazol-4-yl]methanol has a molecular weight of 304.20 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,5-dichlorophenyl)sulfanylethyl]triazol-4-yl]methanol is sourced from PubChem (CID 55067276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).