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120107-61-1 molecular structure
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imidazo[2,1-b][1,3]thiazole-6-carbaldehyde

ChemBase ID: 101184
Molecular Formular: C6H4N2OS
Molecular Mass: 152.17376
Monoisotopic Mass: 152.00443376
SMILES and InChIs

SMILES:
c12nc(cn1ccs2)C=O
Canonical SMILES:
O=Cc1cn2c(n1)scc2
InChI:
InChI=1S/C6H4N2OS/c9-4-5-3-8-1-2-10-6(8)7-5/h1-4H
InChIKey:
VYBDPAAWKNKEKY-UHFFFAOYSA-N

Cite this record

CBID:101184 http://www.chembase.cn/molecule-101184.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
imidazo[2,1-b][1,3]thiazole-6-carbaldehyde
IUPAC Traditional name
imidazo[2,1-b][1,3]thiazole-6-carbaldehyde
Synonyms
imidazo[2,1-b]thiazole-6-carbaldehyde
CAS Number
120107-61-1
MDL Number
MFCD07368517
PubChem SID
162087254
PubChem CID
4961258

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 4961258 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2768054  LogD (pH = 7.4) 1.2773925 
Log P 1.2774  Molar Refractivity 49.7112 cm3
Polarizability 13.947997 Å3 Polar Surface Area 34.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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

INTERNET

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