| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 16 | No |
Popular Name: 1,3-Diphenyl-2-thiourea 1,3-Diphenyl-2-thiourea
Find On: PubMed — Wikipedia — Google
CAS Numbers: 102-08-9 , 1212-29-9 , 8/9/102 , [102-08-9]
N,N'-Dicyclohexylthiourea, 98+%
sulfocarbanilide,sym-Diphenylthiourea,thiocarbanilide,diphenylthiourea
| 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) | 2.41 | 7.76 | -11.31 | 2 | 2 | 0 | 24 | 228.32 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 7.7 | -9.95 | 2 | 2 | 0 | 26 | 228.32 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 8.28 | -8.3 | 2 | 2 | 0 | 26 | 228.32 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 5.087 | Bitter DB |
| Melting_Point | 150-154? | Alfa-Aesar |
| Melting_Point | 150-154° | Alfa-Aesar |
| MP | 151 | TCI |
| Mp [°C] | 151 - 154 | Acros Organics |
| MP | 151° | Matrix Scientific |
| Melting_Point | 180-182? | Alfa-Aesar |
| Melting_Point | 180-182° | Alfa-Aesar |
| H phrase | H300: Fatal if swallowed | Acros Organics |
| H phrase | H317: May cause an allergic skin reaction; H361d: Suspected of damaging the unborn child; H373: May cause damage to organs through prolonged or repeated exposure; H411: Toxic to aquatic life with long lasting effects | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P201: Obtain special instruction | Acros Organics |
| R phrase | R25: Toxic if swallowed. | Acros Organics |
| R phrase | R43: May cause sensitisation by skin contact.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.; R63: Possible risk of harm to the unborn child. | Acros Organics |
| S phrase | S24: Avoid contact with skin. | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Hazard | XN: Harmful; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.