UCSF

ZINC13658992

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 13 No

Popular Name: N-Mesitylthiourea N-Mesitylthiourea

Find On: PubMed — Wikipedia — Google

CAS Numbers: 91059-97-1 , [91059-97-1]

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) 1.24 5.15 -11.25 3 2 0 38 194.303 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 230-231? Alfa-Aesar
Melting_Point 230-231° Alfa-Aesar
Purity 97 Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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