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Home Other Building Blocks 6-Ethoxy-2-mercaptobenzothiazole

6-Ethoxy-2-mercaptobenzothiazole

CAS No.:
120-53-6
Catalog Number:
AG000Q0R
Molecular Formula:
C9H9NOS2
Molecular Weight:
211.3039
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$50
- +
5g
95%
In Stock USA
United States
$150
- +
25g
95%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG000Q0R
Chemical Name:
6-Ethoxy-2-mercaptobenzothiazole
CAS Number:
120-53-6
Molecular Formula:
C9H9NOS2
Molecular Weight:
211.3039
MDL Number:
MFCD00005782
IUPAC Name:
6-ethoxy-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C9H9NOS2/c1-2-11-6-3-4-7-8(5-6)13-9(12)10-7/h3-5H,2H2,1H3,(H,10,12)
InChI Key:
HOASVNMVYBSLSU-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)sc(=S)[nH]2
EC Number:
204-405-5
NSC Number:
503424
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.013g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.297g/mol
Monoisotopic Mass:
211.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties