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Home Other Building Blocks N-METHYLBENZOTHIAZOLE-2-THIONE

N-METHYLBENZOTHIAZOLE-2-THIONE

CAS No.:
2254-94-6
Catalog Number:
AG00BCD3
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$288
- +
1g
98%
1 week
United States
$538
- +
Product Description
Catalog Number:
AG00BCD3
Chemical Name:
N-METHYLBENZOTHIAZOLE-2-THIONE
CAS Number:
2254-94-6
MDL Number:
MFCD00005817
IUPAC Name:
3-methyl-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C8H7NS2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3
InChI Key:
IRNRNPNZAKHEAW-UHFFFAOYSA-N
EC Number:
218-852-9
NSC Number:
66551
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.002g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.271g/mol
Monoisotopic Mass:
181.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Synthesis, structural characterization, and computational studies of novel diiodine adducts with the heterocyclic thioamides N-methylbenzothiazole-2-thione and benzimidazole-2-thione: implications with the mechanism of action of antithyroid drugs. Inorganic chemistry 20051114
Properties