Home Carbonyls 4-Ethoxycarbonyl-2-methylphenyl isothiocyanate

4-Ethoxycarbonyl-2-methylphenyl isothiocyanate

CAS No.:
1027513-17-2
Catalog Number:
AG01F2YZ
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$239
- +
5g
98%
1 week
United States
$642
- +
Product Description
Catalog Number:
AG01F2YZ
Chemical Name:
4-Ethoxycarbonyl-2-methylphenyl isothiocyanate
CAS Number:
1027513-17-2
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
MDL Number:
MFCD09800719
IUPAC Name:
ethyl 4-isothiocyanato-3-methylbenzoate
InChI:
InChI=1S/C11H11NO2S/c1-3-14-11(13)9-4-5-10(12-7-15)8(2)6-9/h4-6H,3H2,1-2H3
InChI Key:
DXSLQUUZTGGNLF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)C)N=C=S
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties