UCSF

ZINC06472566

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 15 No

Popular Name: 5-(4-Nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione 5-(4-Nitrophenyl)-2,4-dihydro-3H…

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CAS Numbers: , 6898-56-2

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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) 2.18 6.1 -32.77 2 6 0 89 222.229 2 ↓
Mid Mid (pH 6-8) 2.18 5.98 -40.72 1 6 -1 87 221.221 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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