4-Amino-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Basic information
- CAS
13229-01-1- Standard SMILES
Cc1ccc(-c2n[nH]c(=S)n2N)cc1- InChIKey
MXONMXJEHNDQPJ-UHFFFAOYSA-N- Molecular formula
- C9H10N4S
- Average molar mass
- 206.27 g/mol
- Monoisotopic mass
- 206.06261751
Names & identifiers
- Preferred name
- 4-Amino-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
- IUPAC
- 4-amino-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
- English name
- 4-Amino-5-p-tolyl-4H-[1,2,4]triazole-3-thiol
- Molecular formula
- C9H10N4S
- Molecular weight
- 206.27
Names & synonyms
13229-01-1DTXSID003510244-Amino-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thioneRefChem:289977DTXCID003020914-Amino-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol4-Amino-5-p-tolyl-4H-[1,2,4]triazole-3-thiolMFCD008341494-Amino-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol4-amino-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione4-Amino-3-mercapto-5-(p-tolyl)-[1,2,4]-triazole4-amino-5-(4-methylphenyl)-1,2,4-triazole-3-thiol
Show more names
4-amino-5-(4-methylphenyl)-2H-1,2,4-triazole-3-thione4H-1,2,4-Triazole-3-thiol, 4-amino-5-(4-methylphenyl)-4-Amino-2,4-dihydro-5-(4-methylphenyl)-3H-1,2,4-triazole-3-thione4-Amino-2,4-dihydro-5-(4-methylphenyl)-3H-1,2,4-triazole-3-thione4-3H-1,2,4-Triazole-3-thione, 4-amino-2,4-dihydro-5-(4-methylphenyl)-4-amino-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE)
4-amino-5-(p-tolyl)-1,2,4-triazole-3-thiol4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfideOprea1_377653Oprea1_605950SCHEMBL1065240CHEMBL2287694SCHEMBL139840014-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-ylhydrosulfide
Database identifiers
- CAS
13229-01-1- PubChem CID
- 689059
- DTXSID
DTXSID00351024- ChEMBL
CHEMBL2287694- Nikkaji
- J868.930J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 268
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Compound notes
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