In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2005 | 11 | Yes |
Popular Name: 6-(methylsulfanyl)pyridine-3-carboxylic acid 6-(methylsulfanyl)pyridine-3-car…
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CAS Number: 74470-25-0
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) | 1.21 | -0.33 | -44.93 | 0 | 3 | -1 | 53 | 168.197 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 182 - 184 | Enamine Building Blocks |
MP | 182...184 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
PUBCHEM_PATENT_ID | EP0163855A1; EP0691971A1; US4678795; US4812571; US5817679; US6060473; US6117889; WO1994022868A1; WO1996006093A1 | IBM Patent Data |