UCSF

ZINC00284493

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 4-Isopropylbenzenesulfonamide 4-Isopropylbenzenesulfonamide

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CAS Number: 6335-39-3

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) 2.14 -4.25 -9.12 2 3 0 60 199.275 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 103-106? Alfa-Aesar
MP 103-106° Oakwood Chemical
MP 104-107° Oakwood Chemical
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5973156 IBM Patent Data

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