Home Other Building Blocks 3-Acetylphenyl isothiocyanate

3-Acetylphenyl isothiocyanate

CAS No.:
3125-71-1
Catalog Number:
AG003ITH
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$111
- +
5g
95%
In Stock USA
United States
$122
- +
Product Description
Catalog Number:
AG003ITH
Chemical Name:
3-Acetylphenyl isothiocyanate
CAS Number:
3125-71-1
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
MDL Number:
MFCD00041081
IUPAC Name:
1-(3-isothiocyanatophenyl)ethanone
InChI:
InChI=1S/C9H7NOS/c1-7(11)8-3-2-4-9(5-8)10-6-12/h2-5H,1H3
InChI Key:
RGANVWCPAAIVNN-UHFFFAOYSA-N
SMILES:
S=C=Nc1cccc(c1)C(=O)C
Properties
Complexity:
221  
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:
2  
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties