UCSF

ZINC00349058

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 No

Popular Name: 5-chloro-1,3-benzoxazole-2-thiol 5-chloro-1,3-benzoxazole-2-thiol

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CAS Numbers: 22876-19-3 , 5331-91-9 , N/A , [22876-19-3]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.17 3.42 -9.34 1 2 0 29 185.635 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 274 - 277 KeyOrganics
MP 277 - 279 Enamine Building Blocks
MP 277...279 Enamine Building Blocks
Melting_Point 280-285? Alfa-Aesar
Melting_Point 280-285° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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