UCSF

ZINC02243604

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 14 No

Popular Name: 4-(Trifluoromethylthio)phenyl isocyanate 4-(Trifluoromethylthio)phenyl is…

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CAS Numbers: 24032-84-6 , [24032-84-6]

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) 5.75 2.18 -2.49 0 2 0 29 219.187 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 175? Alfa-Aesar
Boiling_Point 175° Alfa-Aesar
BP 43°/0.01mm Matrix Scientific
Warnings KEEP COLD, LACHRYMATOR, TOXIC Matrix Scientific
Warnings Toxic/Store in Freezer/Lachrymator Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.