Home Other Building Blocks 2-Ethoxyphenyl isothiocyanate

2-Ethoxyphenyl isothiocyanate

CAS No.:
23163-84-0
Catalog Number:
AG002MFE
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$122
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Product Description
Catalog Number:
AG002MFE
Chemical Name:
2-Ethoxyphenyl isothiocyanate
CAS Number:
23163-84-0
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD00046793
IUPAC Name:
1-ethoxy-2-isothiocyanatobenzene
InChI:
InChI=1S/C9H9NOS/c1-2-11-9-6-4-3-5-8(9)10-7-12/h3-6H,2H2,1H3
InChI Key:
MAHMRCJOZYLGOW-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1N=C=S
EC Number:
245-468-9
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties