UCSF

ZINC00154221

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 4-[(4,6-Dimethylpyrimidin-2-yl)thio]aniline 4-[(4,6-Dimethylpyrimidin-2-yl)t…

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CAS Numbers: 102243-12-9 , [102243-12-9]

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) 2.20 -2.28 -8.61 2 3 0 52 231.324 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 176 - 180° Fluorochem
MP 176-180° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings Irritant Matrix Scientific

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