UCSF

ZINC00394340

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: 1-(2-Thienyl)-1-butanone 1-(2-Thienyl)-1-butanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5333-83-5 , [5333-83-5]

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) 2.80 1.03 -5.75 0 1 0 17 154.234 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 123-124°/25mm Oakwood Chemical
Boiling_Point 242-244? Alfa-Aesar
Boiling_Point 242-244° Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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