UCSF

ZINC05834946

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 12 No

Popular Name: ethyl 5-amino-3-thioxo-3H-1,2-dithiole-4-carboxylate ethyl 5-amino-3-thioxo-3H-1,2-di…

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CAS Number: 3354-38-9

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) 1.34 5.55 -9.66 2 3 0 52 221.328 3 ↓
Mid Mid (pH 6-8) 0.81 5.34 -34.25 1 3 -1 50 220.32 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 172-180° Oakwood Chemical
MP 183-184° Fluorochem

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

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