UCSF

ZINC02169690

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 19 No

Popular Name: 1-Benzyl-3-phenethyl-2-thiourea 1-Benzyl-3-phenethyl-2-thiourea

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CAS Numbers: 35653-54-4 , [35653-54-4] , [356537-07-0] , [356538-93-7]

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) 3.49 -2.92 -11.49 2 2 0 24 270.401 7 ↓

Vendor Notes

Note Type Comments Provided By
MP 116-117° Matrix Scientific
MP 153.5-154° Oakwood Chemical
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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