UCSF

ZINC03327446

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 12 No

Popular Name: 4-Ethoxybenzenecarbothioamide 4-Ethoxybenzenecarbothioamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 57774-79-5 , [57774-79-5]

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) 2.17 -2.16 -12.55 2 2 0 35 181.26 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 115 - 117 Enamine Building Blocks
MP 115...117 Enamine Building Blocks
Melting_Point 160-164? Alfa-Aesar
Melting_Point 160-164° Alfa-Aesar
MP 161 - 163 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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