| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 13 | Yes |
Popular Name: (4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-acetic acid (4,6-Dimethyl-pyrimidin-2-ylsulf…
Find On: PubMed — Wikipedia — Google
CAS Number: 55749-30-9
(4,6-dimethyl-pyrimidin-2-ylsulfanyl)-aceticacid
(4,6-Dimethylpyrimidin-2-ylsulfanyl)-acetic acid
2-((4,6-Dimethylpyrimidin-2-yl)thio)acetic acid
2-(CARBOXYMETHYLTHIO)-4,6-DIMETHYLPYRIMIDINE MONOHYDRATE
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetic acid
DIMETHYLPYRIMIDINYLSULFANYLACETICACI
[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]acetic acid
| 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) | 1.39 | 5.01 | -48.43 | 0 | 4 | -1 | 66 | 197.239 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 112-113° | Matrix Scientific |
| MP | 130 - 132 | Enamine Building Blocks |
| MP | 130...132 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.