In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2006 | 7 | No |
Popular Name: 2,4-Thiazolidinedione 2,4-Thiazolidinedione
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 2295-31-0 , 39131-10-7 , N/A , [2295-31-0]
2,4(3H,5H)-thiazoledione; 2,4-dioxothiazolidine; 2,4-thiazolidinedione
4-hydroxy-1,3-thiazol-2(3H)-one
4-[(4-phenyl-3,5,7-triazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2-yl)amino]cyclohexan-1-ol
Cyclohexanol, 4-((2-phenyl-1H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)-, trans-
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) | -0.33 | -0.88 | -7.38 | 1 | 3 | 0 | 46 | 117.129 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Mp [°C] | 123 - 126 | Acros Organics |
Melting_Point | 123-126? | Alfa-Aesar |
MP | 123-126° | Matrix Scientific |
MP | 128 | TCI |
BP [°C] | 178 - 179 (p=19 torr) | Acros Organics |
Boiling_Point | 178-179?/19mm | Alfa-Aesar |
BP | 178-179° | Oakwood Chemical |
Boiling_Point | 178-179°/19mm | Alfa-Aesar |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |
Purity | 97% | Fluorochem |
PUBCHEM_PATENT_ID | EP0162328A2; EP0320939A2; EP0320939B1; EP0380217A1; EP0380217B1; EP0436938B1; EP0447920A1; EP0447920B1; EP0451526B1; EP0482552B1; EP0536173A1; EP0536173B1; EP0557851B1; EP0573761B1; EP0578249A3; EP0891340A1; EP0923529A1; US4622287; US5122525; US5187055; U | IBM Patent Data |
PUBCHEM_PATENT_ID | EP0680472A1; EP1005344A1; EP1036075A1; WO1995014673A1; WO1996023789A1; WO1997036882A1; WO1997043237A1; WO1998029113A1; WO1998029120A1; WO1998045291A1; WO1998045292A1; WO1999058510A1; WO2000064888A1 | IBM Patent Data |
Patent Database Links | EP0780389; EP0796618; EP1186588; EP1201664; EP1338600; EP1593677; EP1634605; EP1642594; EP1849475; EP1903042; US2001007875; US2003166724; US2004077716; US2004097593; US2004180940; US2005004184; US2005009870; US2005038259; US2005075345; US2005203030; US200 | ChEBI |
H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
Warnings | IRRITANT | Matrix Scientific |
P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
PUBCHEM_PATENT_ID | US6063800; WO1997040017A2 | IBM Patent Data |
Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.