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35368-44-6 | 2-(4-Chlorophenoxy)ethanethioamide
CAS No: 35368-44-6 Catalog No: AG003EVO MDL No:MFCD00052481
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
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