Home Other Building Blocks Ethanone, 1-(6-benzothiazolyl)-

Ethanone, 1-(6-benzothiazolyl)-

CAS No.:
19989-35-6
Catalog Number:
AG002CF8
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002CF8
Chemical Name:
Ethanone, 1-(6-benzothiazolyl)-
CAS Number:
19989-35-6
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
MDL Number:
MFCD12408397
IUPAC Name:
1-(1,3-benzothiazol-6-yl)ethanone
InChI:
InChI=1S/C9H7NOS/c1-6(11)7-2-3-8-9(4-7)12-5-10-8/h2-5H,1H3
InChI Key:
KHIQJRVZQJFYKD-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)scn2
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.221g/mol
Monoisotopic Mass:
177.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties