UCSF

ZINC03860664

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 6 No

Popular Name: 1-Pentanethiol 1-Pentanethiol

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CAS Number: 110-66-7

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) 2.58 0.66 -0.94 0 0 0 0 104.218 3 ↓
Hi High (pH 8-9.5) 2.58 -0.3 -42.8 0 0 -1 0 103.21 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 76? Alfa-Aesar
Melting_Point 76° Alfa-Aesar
Boiling_Point 125-126? Alfa-Aesar
Boiling_Point 125-126° Alfa-Aesar
BP 126 TCI

Activity (Go SEA)

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

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