UCSF

ZINC06511739

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 11 No

Popular Name: 1-(3-Hydroxyphenyl)-2-thiourea 1-(3-Hydroxyphenyl)-2-thiourea

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CAS Numbers: 06/05/94 , 3394-05-6 , 5/6/3394 12:00:00 AM , [3394-05-6]

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) 0.47 0.54 -12.78 4 3 0 58 168.221 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 175-180? Alfa-Aesar
Melting_Point 175-180° Alfa-Aesar
MP 178-180° Matrix Scientific
MP 287°(dec) Matrix Scientific
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.