UCSF

ZINC01484626

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 5 Yes

Popular Name: Thiazole Thiazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 288-47-1 , 3682-43-7 , 504-78-9 , [288-47-1]

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) 0.87 1.64 -4.08 0 1 0 13 85.131 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 33? Alfa-Aesar
Melting_Point 33° Alfa-Aesar
BP [°C] 117 - 118 Acros Organics
Boiling_Point 117-118? Alfa-Aesar
Boiling_Point 117-118° Alfa-Aesar
BP 118 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% Matrix Scientific
Patent Database Links EP0771800; EP0791849; EP0805188; EP0826685; EP0844243; EP0889044; EP0921123; EP0928790; EP0928793; EP0933354; EP0934938; EP0949242; EP0953874; EP0967205; EP0984012; EP0985662; EP0987264; EP0999205; EP1016653; EP1020467; EP1024138; EP1057830; EP1067123; EP ChEBI
Warnings FLAMMABLE Matrix Scientific
UniProt Database Links GLOX_BACSU; IMDH_TOXGO; MCBA_ECOLX; MELK_HUMAN; NOSM_STRAS; PZNA_BACA2; PZNA_BACPU; TFXA_RHILT; THCL1_AMISM; THCL_BACBA; THCL_BACCE; THCL_BACCR; THCL_PLARO; THCL_STRAJ; THCL_STRSQ; THI1_PANTH; THI41_MAIZE; THI41_PHYPA; THI41_SORBI; THI41_VITVI; THI42_MAIZ ChEBI
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H226: Flammable liquid and vapor Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R22: Harmful if swallowed. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
PUBCHEM_PATENT_ID US5164388 IBM Patent Data
PUBCHEM_PATENT_ID WO2000043372A1; WO2000043413A2 IBM Patent Data
Hazard XN: Harmful Acros Organics

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

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