UCSF

ZINC03875768

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 7 No

Popular Name: Allylthiourea Allylthiourea

Find On: PubMed — Wikipedia — Google

CAS Numbers: 109-57-9 , 185147-29-9 , [109-57-9]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 0.56 1.3 -11.42 3 2 0 38 116.189 3 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.845 Bitter DB
Mp [°C] 70 - 78 Acros Organics
Melting_Point 70-78? Alfa-Aesar
Melting_Point 70-78° Alfa-Aesar
MP 71 TCI
Purity 97% Fluorochem
Therapy chelating agent SMDC Pharmakon
H phrase H301: Toxic if swallowed Acros Organics
Target Others Selleck Chemicals
P phrase P264: Wash face, hands and any exposed skin thoroughly after handling 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; P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective cloth Acros Organics
R phrase R25: Toxic if swallowed. Acros Organics
S phrase S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.