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Molecule
ID:64370
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆H₁₀BrNSSi
Molecular Mass
236.2048
Exact Mass
234.94865886
Charge
0
InChI
InChI=1S/C6H10BrNSSi/c1-10(2,3)6-8-5(7)4-9-6/h4H,1-3H3
InChIKey
WLQGXFSBIGJXDA-UHFFFAOYSA-N
Canonic Smiles
Brc1csc(n1)[Si](C)(C)C
Isomeric Smiles
n1c(scc1Br)[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0802884
LogD (pH = 7.4)
4.0803
Log P
4.0803
Molar Refractivity
45.2683
Polarizability
19.534319
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
Data Source
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Academic Data
Names and Identifiers
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IUPAC name
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IUPAC Traditional name
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Synonyms
Registration numbers
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MDL Number
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CAS Number
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PubChem SID
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PubChem CID
Properties
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Safety Information
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Product Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR8607
Matrix Scientific
069696
Sigma Aldrich
717029
A&J Pharmtech
AJA-O35020
Academic Data
PubChem
4340399
Names and Identifiers
IUPAC name
4-bromo-2-(trimethylsilyl)-1,3-thiazole
IUPAC Traditional name
4-bromo-2-(trimethylsilyl)-1,3-thiazole
Synonyms
4-Bromo-2-trimethylsilylthiazole
(4-Bromo-1,3-thiazol-2-yl)trimethylsilane
4-Bromo-2-(trimethylsilyl)-1,3-thiazole
4-BROMO-2-(TRIMETHYLSILYL)THIAZOLE
4-溴-2-(三甲基硅基)噻唑
4-Bromo-2-(trimethylsilyl)thiazole
Registration numbers
MDL Number
MFCD01319107
CAS Number
108306-53-2
PubChem SID
162030109
PubChem CID
4340399
Molecule Details
Sigma Aldrich
717029
Packaging
1 g in glass bottle
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Properties
Safety Information
Storage Warning
IRRITANT
Source
Irritant/Light Sensitive/Keep Cold
Source
TSCA Listed
false
Source
MSDS Link
Download link
Source
Download link
Source
1
Source
Product Information
97%
Source
95%
Source
98%
Source
C6H10BrNSSi
Source
Physical Property
82.2°C
Source
82 °C
Source
179.6 °F
Source
1.384
Source
1.384 g/mL at 25 °C
Source
German water hazard class
Purity
Empirical Formula (Hill Notation)
Flash Point
Density