UCSF

ZINC00247941

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 2-(Phenylthio)aniline 2-(Phenylthio)aniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1134-94-7 , 6764-13-2

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) 3.34 -0.86 -3.87 2 1 0 26 201.294 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 258 / 100 TCI
MP 43 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% APIChem

Activity (Go SEA)

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