UCSF

ZINC08687477

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 12 No

Popular Name: 3,5-DIMETHYLPHENYLTHIOUREA 3,5-DIMETHYLPHENYLTHIOUREA

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CAS Number: 97480-60-9

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) 1.80 4.73 -12.28 3 2 0 38 180.276 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 171-173° Matrix Scientific
MP 173 - 175 Enamine Building Blocks
Melting_Point 173-175? Alfa-Aesar
Melting_Point 173-175° Alfa-Aesar
MP 173...175 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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