4-ethyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione

C10H11N3OS — CID 719792

IUPAC4-ethyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
SMILESCCn1c(-c2ccccc2O)n[nH]c1=S
InChIInChI=1S/C10H11N3OS/c1-2-13-9(11-12-10(13)15)7-5-3-4-6-8(7)14/h3-6,14H,2H2,1H3,(H,12,15)
InChIKeyGLHFSNPXOZMSHP-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.33
Rot. Bonds2

About 4-ethyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione

4-ethyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione (PubChem CID 719792) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-ethyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-ethyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
PubChem CID719792
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name4-ethyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
SMILESCCn1c(-c2ccccc2O)n[nH]c1=S
InChIInChI=1S/C10H11N3OS/c1-2-13-9(11-12-10(13)15)7-5-3-4-6-8(7)14/h3-6,14H,2H2,1H3,(H,12,15)
InChIKeyGLHFSNPXOZMSHP-UHFFFAOYSA-N
XLogP2.33
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
CID 695060
2-(4-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)phenol
CID 695551
2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione
CID 704088
3-(2-Hydroxyphenyl)-4-methyl-1,2,4-delta-2-triazoline-5-thione
CID 802040
4-(4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol
CID 135704458
4-allyl-5-(2-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
CID 6484630
2,4-Dihydro-5-(2-hydroxyphenyl)-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione
CID 738808
5-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 800737
4-bromo-2-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol
CID 2917807
4-Benzyl-5-(2-methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol
CID 864561
2-[(3-Mercapto-5-phenyl-[1,2,4]triazol-4-ylimino)-methyl]-phenol
CID 135470822
4-[(3-Mercapto-5-phenyl-[1,2,4]triazol-4-ylimino)-methyl]-phenol
CID 135501988

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-ethyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione (CID 719792) is 4-ethyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-ethyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-ethyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione is CCn1c(-c2ccccc2O)n[nH]c1=S.
What is the InChIKey of 4-ethyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione?
The InChIKey is GLHFSNPXOZMSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-2-13-9(11-12-10(13)15)7-5-3-4-6-8(7)14/h3-6,14H,2H2,1H3,(H,12,15).
What are the key properties of 4-ethyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione?
4-ethyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione has a molecular weight of 221.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 719792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).