UCSF

ZINC00161511

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: Ethyl (phenylthio)acetate Ethyl (phenylthio)acetate

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CAS Numbers: 7605-25-6 , [7605-25-6]

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) 2.61 1.73 -6.68 0 2 0 26 196.271 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 0 KeyOrganics
Boiling_Point 143-145?/14mm Alfa-Aesar
Boiling_Point 143-145°/14mm Alfa-Aesar
BP 160 / 16 TCI
Purity 97% Fluorochem
Purity 98.0%min APIChem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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