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Home Sulfos 2-(Methylsulfonyl)-1,3-benzothiazole

2-(Methylsulfonyl)-1,3-benzothiazole

CAS No.:
7144-49-2
Catalog Number:
AG005IKW
Molecular Formula:
C8H7NO2S2
Molecular Weight:
213.2767
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$138
- +
5g
96%
In Stock USA
United States
$388
- +
10g
96%
In Stock USA
United States
$563
- +
25g
96%
In Stock USA
United States
$1063
- +
Product Description
Catalog Number:
AG005IKW
Chemical Name:
2-(Methylsulfonyl)-1,3-benzothiazole
CAS Number:
7144-49-2
Molecular Formula:
C8H7NO2S2
Molecular Weight:
213.2767
MDL Number:
MFCD00142947
IUPAC Name:
2-methylsulfonyl-1,3-benzothiazole
InChI:
InChI=1S/C8H7NO2S2/c1-13(10,11)8-9-6-4-2-3-5-7(6)12-8/h2-5H,1H3
InChI Key:
YZOXPLQWARQVEJ-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1nc2c(s1)cccc2
NSC Number:
51671
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.992g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.269g/mol
Monoisotopic Mass:
212.992g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Label-Free Bottom-Up Proteomic Workflow for Simultaneously Assessing the Target Specificity of Covalent Drug Candidates and Their Off-Target Reactivity to Selected Proteins. Chemical research in toxicology 20160119
Methylsulfonyl benzothiazole (MSBT): a selective protein thiol blocking reagent. Organic letters 20120706
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties