UCSF

ZINC00032573

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate methyl 3-amino-6-nitro-1-benzoth…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 35212-90-9 , N/A , [35212-90-9]

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) 2.32 0.05 -8.44 2 6 0 98 252.251 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 231 - 232 KeyOrganics
MP 231-232° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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