UCSF

ZINC13659170

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Substance Information

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

Popular Name: 3,5-DICHLOROPHENYLTHIOUREA 3,5-DICHLOROPHENYLTHIOUREA

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CAS Numbers: 107707-33-5 , [107707-33-5] , [107718-34-3]

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 4.41 -11.85 3 2 0 38 221.112 2 ↓
Mid Mid (pH 6-8) 2.94 4.46 -34.23 2 2 -1 38 220.104 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 175-177° Matrix Scientific
Melting_Point 175-179? Alfa-Aesar
Melting_Point 175-179° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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