UCSF

ZINC05979940

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 18 No

Popular Name: Ethyl 2-isothiocyanato-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Ethyl 2-isothiocyanato-5,6,7,8-t…

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CAS Numbers: , 257610-91-6 , [257610-91-6]

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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) 4.91 0.49 -9.24 0 3 0 38 281.402 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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