UCSF

ZINC02164365

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 11 Yes

Popular Name: 2-Hexylthiophene 2-Hexylthiophene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18794-77-9 , [18794-77-9]

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) 4.46 1.32 -1.75 0 0 0 0 168.305 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 228-230? Alfa-Aesar
Boiling_Point 228-230° Alfa-Aesar
Purity 95% Fluorochem
PUBCHEM_PATENT_ID WO1993007128A1 IBM Patent Data

Activity (Go SEA)

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