UCSF

ZINC01718826

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 7 No

Popular Name: Propyl sulfide Propyl sulfide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10595-09-2 , 111-17-1 , 111-47-7 , 111-97-7 , 625-80-9 , 629-19-6 , [629-19-6]

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) 2.60 1.16 -1.38 0 0 0 0 118.245 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 102? Alfa-Aesar
Melting_Point 102° Alfa-Aesar
Boiling_Point 141-142? Alfa-Aesar
Boiling_Point 141-142° Alfa-Aesar
BP 142 TCI

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.