UCSF

ZINC02169156

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 6 No

Popular Name: 2-Mercaptothiophene 2-Mercaptothiophene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7774-74-5 , [7774-74-5]

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) 2.11 3.62 -2.03 0 0 0 0 116.21 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 129° Oakwood Chemical
BP 56 / 5 TCI
Boiling_Point 62-65?/12mm Alfa-Aesar
Boiling_Point 62-65°/12mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Fluorochem

Activity (Go SEA)

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

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