UCSF

ZINC01437266

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 15 No

Popular Name: 3-Thiocarbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester 3-Thiocarbamoyl-pyrrolidine-1-ca…

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CAS Numbers: 122684-35-9 , [122684-35-9]

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) 0.80 3.63 -10.04 2 4 0 56 230.333 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 131-133° Matrix Scientific
MP 139-141° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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