UCSF

ZINC12505805

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 12 Yes

Popular Name: 2-methyl-5-(methylthio)benzoic acid 2-methyl-5-(methylthio)benzoic acid

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CAS Number: 26246-30-0

Other Names:

MFCD09702196

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) 2.32 5.65 -52.65 0 2 -1 40 181.236 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 128 - 130 Enamine Building Blocks
MP 128...130 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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