UCSF

ZINC02004049

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 5 No

Popular Name: S-Methyl thioacetate S-Methyl thioacetate

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CAS Numbers: 1534-08-3 , 8/3/1534 , [1534-08-3]

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) 1.09 2.4 -3.73 0 1 0 17 90.147 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 97-99? Alfa-Aesar
Boiling_Point 97-99° Alfa-Aesar
Patent Database Links WO2006063706 ChEBI

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

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