[1-(phenylsulfanylmethyl)triazol-4-yl]methanol

C10H11N3OS — CID 51356248

IUPAC[1-(phenylsulfanylmethyl)triazol-4-yl]methanol
SMILESOCc1cn(CSc2ccccc2)nn1
InChIInChI=1S/C10H11N3OS/c14-7-9-6-13(12-11-9)8-15-10-4-2-1-3-5-10/h1-6,14H,7-8H2
InChIKeyAOIDIFFYCQBZSH-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.52
Rot. Bonds4

About [1-(phenylsulfanylmethyl)triazol-4-yl]methanol

[1-(phenylsulfanylmethyl)triazol-4-yl]methanol (PubChem CID 51356248) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is [1-(phenylsulfanylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(phenylsulfanylmethyl)triazol-4-yl]methanol
PubChem CID51356248
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name[1-(phenylsulfanylmethyl)triazol-4-yl]methanol
SMILESOCc1cn(CSc2ccccc2)nn1
InChIInChI=1S/C10H11N3OS/c14-7-9-6-13(12-11-9)8-15-10-4-2-1-3-5-10/h1-6,14H,7-8H2
InChIKeyAOIDIFFYCQBZSH-UHFFFAOYSA-N
XLogP1.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(phenylsulfanylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(phenylsulfanylmethyl)triazol-4-yl]methanol (CID 51356248) is [1-(phenylsulfanylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(phenylsulfanylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(phenylsulfanylmethyl)triazol-4-yl]methanol is OCc1cn(CSc2ccccc2)nn1.
What is the InChIKey of [1-(phenylsulfanylmethyl)triazol-4-yl]methanol?
The InChIKey is AOIDIFFYCQBZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c14-7-9-6-13(12-11-9)8-15-10-4-2-1-3-5-10/h1-6,14H,7-8H2.
What are the key properties of [1-(phenylsulfanylmethyl)triazol-4-yl]methanol?
[1-(phenylsulfanylmethyl)triazol-4-yl]methanol has a molecular weight of 221.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(phenylsulfanylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 51356248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).