UCSF

ZINC01482032

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 13 Yes

Popular Name: Dibenzothiophene Dibenzothiophene

Find On: PubMed — Wikipedia — Google

CAS Number: 132-65-0

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.21 8.26 -6.19 0 0 0 0 184.263 0 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 332 - 333 Acros Organics
Boiling_Point 332-333? Alfa-Aesar
Boiling_Point 332-333° Alfa-Aesar
BP 333 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Mp [°C] 97 - 100 Acros Organics
Melting_Point 97-100? Alfa-Aesar
Melting_Point 97-100° Alfa-Aesar
MP 98 TCI
MP 98 - 100 Enamine Building Blocks
Purity 98% Fluorochem
MP 98-100° Fluorochem
MP 98...100 Enamine Building Blocks
MP 99 TCI
UniProt Database Links APO1_AGRAE; APO1_COPRA; NAHB_PSEPU; NAHB_PSEU8; NAHQ_PSEAI; NAHQ_PSEPU; NAHQ_PSEU8; SOXA_RHOSG; SOXB_RHOSG; SOXC_RHOSG ChEBI
Patent Database Links EP1072576; EP1623970; EP2001064; US2004029886; US2005209233; US2006189606; US2008096968; US2008275017; US2008280896; WO2005030716; WO2005077899; WO2006069441 ChEBI
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H410: Very toxic to aquatic life with long lasting effects Acros Organics
Warnings IRRITANT Matrix Scientific
Warnings Irritant-Harmful Matrix Scientific
Therapy keratolytic SMDC Pharmakon
Target Others Selleck Chemicals
P phrase P264: Wash face, hands and any exposed skin thoroughly after handling; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P273: Avoid release to the environment; P391: Collect spillage; P501: Dispose of contents/contain Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
PUBCHEM_PATENT_ID US5830763 IBM Patent Data
Hazard XN: Harmful Acros Organics
Hazard XN: Harmful; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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