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Home Other Building Blocks 6-Acetyl-2(3h)-benzothiazolone

6-Acetyl-2(3h)-benzothiazolone

CAS No.:
133044-44-7
Catalog Number:
AG0011KI
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$58
- +
5g
95%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG0011KI
Chemical Name:
6-Acetyl-2(3h)-benzothiazolone
CAS Number:
133044-44-7
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD02660572
IUPAC Name:
6-acetyl-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C9H7NO2S/c1-5(11)6-2-3-7-8(4-6)13-9(12)10-7/h2-4H,1H3,(H,10,12)
InChI Key:
UFRAIEFXNRTICG-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)sc(=O)[nH]2
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties