UCSF

ZINC01510006

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 13 No

Popular Name: 5-(2-methylphenyl)-1,3,4-oxadiazole-2-thiol 5-(2-methylphenyl)-1,3,4-oxadiaz…

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CAS Numbers: , 2503-66-4 , [2503-66-4]

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) 2.73 2.19 -42.51 0 3 -1 39 191.235 1 ↓
Lo Low (pH 4.5-6) 2.00 2.72 -7.64 1 3 0 42 192.243 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 181-182? Alfa-Aesar
Melting_Point 181-182° Alfa-Aesar
MP 188 - 190 Enamine Building Blocks
MP 188...190 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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