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35342-50-8 molecular structure
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5-bromo-2,4-diphenyl-1,3-thiazole

ChemBase ID: 101257
Molecular Formular: C15H10BrNS
Molecular Mass: 316.2156
Monoisotopic Mass: 314.97173233
SMILES and InChIs

SMILES:
n1c(sc(c1c1ccccc1)Br)c1ccccc1
Canonical SMILES:
Brc1sc(nc1c1ccccc1)c1ccccc1
InChI:
InChI=1S/C15H10BrNS/c16-14-13(11-7-3-1-4-8-11)17-15(18-14)12-9-5-2-6-10-12/h1-10H
InChIKey:
KKDPGKYZSJFNLZ-UHFFFAOYSA-N

Cite this record

CBID:101257 http://www.chembase.cn/molecule-101257.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2,4-diphenyl-1,3-thiazole
IUPAC Traditional name
5-bromo-2,4-diphenyl-1,3-thiazole
Synonyms
5-bromo-2,4-diphenyl-1,3-thiazole
CAS Number
35342-50-8
MDL Number
MFCD08060523
PubChem SID
162087517
PubChem CID
7537557

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 7537557 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.6246285  LogD (pH = 7.4) 5.624633 
Log P 5.6246333  Molar Refractivity 87.9149 cm3
Polarizability 32.02049 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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