UCSF

ZINC01593014

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 No

Popular Name: Cyclohexanemethyl isothiocyanate Cyclohexanemethyl isothiocyanate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 52395-66-1 , [52395-66-1]

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) 3.90 5.3 -1.57 0 1 0 12 155.266 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 222-223? Alfa-Aesar
Boiling_Point 222-223° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% Fluorochem
Warnings TOXIC, CORROSIVE Matrix Scientific
Warnings Toxic/Corrosive Matrix Scientific

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