UCSF

ZINC13684861

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 11 No

Popular Name: 2H-1,4-benzothiazine-3(4H)-thione 2H-1,4-benzothiazine-3(4H)-thione

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CAS Number: 22191-30-6

Other Names:

MFCD02082224

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) 1.55 5.54 -6.13 1 1 0 12 181.285 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 129 - 131 KeyOrganics

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