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115540-88-0 | Ethanethioamide, 2-(2,3-dichlorophenoxy)-
CAS No: 115540-88-0 Catalog No: AG000G4K MDL No:MFCD09757549
Product Description
Catalog Number:
AG000G4K
Chemical Name:
Ethanethioamide, 2-(2,3-dichlorophenoxy)-
CAS Number:
115540-88-0
Molecular Formula:
C8H7Cl2NOS
Molecular Weight:
236.1183
MDL Number:
MFCD09757549
IUPAC Name:
2-(2,3-dichlorophenoxy)ethanethioamide
InChI:
InChI=1S/C8H7Cl2NOS/c9-5-2-1-3-6(8(5)10)12-4-7(11)13/h1-3H,4H2,(H2,11,13)
InChI Key:
DUJMNRAJDCNIMA-UHFFFAOYSA-N
SMILES:
NC(=S)COc1cccc(c1Cl)Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.963g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.11g/mol
Monoisotopic Mass:
234.963g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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