(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol

• Catalog Number: ACMA00000884
• Category: Amines
• Molecular Weight: 221.28
• Molecular Formula: C₁₀H₁₁NO₃S
• Hazard Statements: H302
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol?

The molecular formula is C10H11N3OS.

What is the PubChem CID number of (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol?

The PubChem CID number is 2920965.

What is the molecular weight of (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol?

The molecular weight is 221.28 g/mol.

What is the IUPAC name of (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol?

The IUPAC name is 3-[hydroxy(phenyl)methyl]-4-methyl-1H-1,2,4-triazole-5-thione.

What is the InChI of (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol?

The InChI is InChI=1S/C10H11N3OS/c1-13-9(11-12-10(13)15)8(14)7-5-3-2-4-6-7/h2-6,8,14H,1H3,(H,12,15).

What is the InChIKey of (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol?

The InChIKey is PUHARJNOBAHWFF-UHFFFAOYSA-N.

What is the canonical SMILES of (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol?

The canonical SMILES is CN1C(=NNC1=S)C(C2=CC=CC=C2)O.

How many hydrogen bond donor counts are there in (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol?

There are 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol?

There are 3 hydrogen bond acceptor counts.

Is (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol a canonicalized compound?

Yes, (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol is a canonicalized compound.