Home Other Building Blocks 2-(4-Chlorophenoxy)ethanethioamide

2-(4-Chlorophenoxy)ethanethioamide

CAS No.:
35368-44-6
Catalog Number:
AG003EVO
Molecular Formula:
C8H8ClNOS
Molecular Weight:
201.6732
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Product Description
Catalog Number:
AG003EVO
Chemical Name:
2-(4-Chlorophenoxy)ethanethioamide
CAS Number:
35368-44-6
Molecular Formula:
C8H8ClNOS
Molecular Weight:
201.6732
MDL Number:
MFCD00052481
IUPAC Name:
2-(4-chlorophenoxy)ethanethioamide
InChI:
InChI=1S/C8H8ClNOS/c9-6-1-3-7(4-2-6)11-5-8(10)12/h1-4H,5H2,(H2,10,12)
InChI Key:
AIOQDHOVIDONNW-UHFFFAOYSA-N
SMILES:
NC(=S)COc1ccc(cc1)Cl
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.002g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.668g/mol
Monoisotopic Mass:
201.002g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties