UCSF

ZINC02168508

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 12 No

Popular Name: 2,3-DIMETHYLPHENYLTHIOUREA 2,3-DIMETHYLPHENYLTHIOUREA

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CAS Numbers: 55752-58-4 , [55752-58-4]

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) 1.78 4.8 -12.53 3 2 0 38 180.276 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 202 - 204 Enamine Building Blocks
Melting_Point 202-204? Alfa-Aesar
Melting_Point 202-204° Alfa-Aesar
MP 202-204°(dec) Matrix Scientific
MP 202...204 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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