UCSF

ZINC00167872

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 4-{[(4-chlorophenyl)sulfanyl]methyl}phenylamine 4-{[(4-chlorophenyl)sulfanyl]met…

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CAS Numbers: 6969-14-8 , [6969-14-8]

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) 3.72 7.81 -3.92 2 1 0 26 249.766 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 98 - 100 KeyOrganics
MP 98-100° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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