UCSF

ZINC01081110

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 9 Yes

Popular Name: 2-Acetyl-3-methylthiophene 2-Acetyl-3-methylthiophene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13679-72-6 , [13679-72-6]

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) 2.11 4.72 -5.72 0 1 0 17 140.207 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 68-72?/3mm Alfa-Aesar
BP 68-72°/3mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT, IRRITANT-HARMFUL Matrix Scientific
Warnings Irritant/Irritant-Harmful Matrix Scientific

Activity (Go SEA)

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

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