UCSF

ZINC19230164

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 9 No

Popular Name: 2,5-Dimethylthiophenol 2,5-Dimethylthiophenol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4001-61-0 , [4001-61-0]

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) 2.99 5.87 -2.56 0 0 0 0 138.235 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 126-127?/50mm Alfa-Aesar
Boiling_Point 126-127°/50mm Alfa-Aesar
BP 126°/50mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem
Purity 98% Matrix Scientific
Warnings IRRITANT, STENCH Matrix Scientific
Warnings Toxic/Stench Matrix Scientific

Activity (Go SEA)

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

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