| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 21st, 2006 | 8 | No |
Popular Name: 4-Thiouracil 4-Thiouracil
Find On: PubMed — Wikipedia — Google
CAS Numbers: 203213-16-5 , 591-28-6 , [203268-53-5] , [591-28-6]
2(1H)-Pyrimidinone, 3,4-dihydro-4-thioxo- (9CI)
2(1H)-Pyrimidinone, 6-mercapto- (9CI)
2-Hydroxy-4(1H)-pyrimidinethione
2-Hydroxy-4-mercaptopyrimidine
| 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) | -0.10 | -1.1 | -55.36 | 1 | 3 | -1 | 52 | 127.148 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.63 | -4.93 | -6.78 | 1 | 3 | 0 | 46 | 128.156 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 295 | Acros Organics |
| Melting_Point | 295? | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0371312A1; US5036068 | IBM Patent Data |
| H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled | Acros Organics |
| H phrase | H351: Suspected of causing cancer | Acros Organics |
| P phrase | P264: Wash face, hands and any exposed skin thoroughly after handling; P270: Do not eat, drink or smoke when using this product; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of | Acros Organics |
| P phrase | P281: Use personal protective equipment as required | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.