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100970-00-1

100970-00-1 | N-(4-Ethoxyphenyl)-4-isothiocyanatobenzenesulfonamide

CAS No: 100970-00-1 Catalog No: AG00H9E5 MDL No:

Product Description

Catalog Number:
AG00H9E5
Chemical Name:
N-(4-Ethoxyphenyl)-4-isothiocyanatobenzenesulfonamide
CAS Number:
100970-00-1
IUPAC Name:
N-(4-ethoxyphenyl)-4-isothiocyanatobenzenesulfonamide
InChI:
InChI=1S/C15H14N2O3S2/c1-2-20-14-7-3-13(4-8-14)17-22(18,19)15-9-5-12(6-10-15)16-11-21/h3-10,17H,2H2,1H3
InChI Key:
ISOUCXWMHMWYQK-UHFFFAOYSA-N

Properties

Complexity:
481  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.045g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
334.408g/mol
Monoisotopic Mass:
334.045g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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