UCSF

ZINC13659118

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 12 No

Popular Name: 1-(3,4-Dichlorophenyl)-2-thiourea 1-(3,4-Dichlorophenyl)-2-thiourea

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CAS Numbers: 19250-09-0 , [19250-09-0]

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) 2.26 4.37 -11.55 3 2 0 38 221.112 2 ↓
Hi High (pH 8-9.5) 2.94 4.42 -34.43 2 2 -1 38 220.104 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 197-199° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Fluorochem
Melting_Point ca 200? dec. Alfa-Aesar
Melting_Point ca 200° dec. Alfa-Aesar
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.