UCSF

ZINC05500943

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 13 No

Popular Name: tert-butyl N-(3-amino-3-thioxopropyl)carbamate tert-butyl N-(3-amino-3-thioxopr…

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CAS Numbers: 77152-97-7 , [77152-97-7]

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) 0.32 0.96 -19.48 3 4 0 64 204.295 5 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 109 - 112 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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