UCSF

ZINC00047508

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: 2-Thenoylacetonitrile 2-Thenoylacetonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 33898-90-7 , [33898-90-7]

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) 0.82 4.55 -12.45 0 2 0 41 151.19 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 132-136? Alfa-Aesar
Melting_Point 132-136° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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