UCSF

ZINC00170347

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: Methyl-2-isothiocyanatothiophene-3-carboxylate Methyl-2-isothiocyanatothiophene…

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CAS Numbers: 126637-07-8 , [126637-07-8]

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) 2.85 0.98 -10.24 0 3 0 39 199.256 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 58-59° Fluorochem
melting_point 59 - 61 KeyOrganics
MP 59-60° Oakwood Chemical
MP 59-61° Matrix Scientific
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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