UCSF

ZINC12957164

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 17 No

Popular Name: 5-[(3-nitrophenyl)methylene]-1,3-thiazolane-2,4-dione 5-[(3-nitrophenyl)methylene]-1,3…

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CAS Numbers: 24044-52-8 , [24044-52-8]

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) 1.42 3.72 -14.7 1 6 0 96 250.235 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 185 - 187 KeyOrganics
MP 185-187° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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