UCSF

ZINC18143915

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 13 No

Popular Name: 5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol 5-(4-methylphenyl)-4H-1,2,4-tria…

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CAS Numbers: 64310-34-5 , [64310-34-5]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.67 5.87 -43.92 1 3 -1 42 190.251 1 ↓
Mid Mid (pH 6-8) 2.67 5.97 -23.74 2 3 0 43 191.259 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 125 - 128 Enamine Building Blocks
MP 125...128 Enamine Building Blocks
MP 248-250o C Indofine
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
SOLUBILITY Soluble in Chloroform, methanol Indofine

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Analogs ( Draw Identity 99% 90% 80% 70% )