UCSF

ZINC06054192

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2006 14 No

Popular Name: 4-(4-methylphenyl)-2-pyrimidinethiol 4-(4-methylphenyl)-2-pyrimidinet…

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CAS Numbers: 317821-63-9 , 477859-71-5 , [477859-71-5]

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) 2.12 6.96 -25.42 1 2 0 29 202.282 1 ↓
Mid Mid (pH 6-8) 2.85 6.64 -52.7 0 2 -1 26 201.274 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 290°(dec) Matrix Scientific
melting_point 320 KeyOrganics
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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