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Home Other Building Blocks 2-Amino-5,5-dimethyl-5,6-dihydro-4h-benzothiazol-7-one

2-Amino-5,5-dimethyl-5,6-dihydro-4h-benzothiazol-7-one

CAS No.:
1629-95-4
Catalog Number:
AG001TJ2
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$99
- +
5g
98%
In Stock USA
United States
$325
- +
10g
98%
In Stock USA
United States
$494
- +
Product Description
Catalog Number:
AG001TJ2
Chemical Name:
2-Amino-5,5-dimethyl-5,6-dihydro-4h-benzothiazol-7-one
CAS Number:
1629-95-4
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
MDL Number:
MFCD00170187
IUPAC Name:
2-amino-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
InChI:
InChI=1S/C9H12N2OS/c1-9(2)3-5-7(6(12)4-9)13-8(10)11-5/h3-4H2,1-2H3,(H2,10,11)
InChI Key:
KFWIDHVBJCCTNN-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)Cc2c1sc(n2)N
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.067g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.268g/mol
Monoisotopic Mass:
196.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
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