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35370-92-4 | 2-(4-Methoxyphenoxy)ethanethioamide
CAS No: 35370-92-4 Catalog No: AG003EWQ MDL No:MFCD00052482
Product Description
Catalog Number:
AG003EWQ
Chemical Name:
2-(4-Methoxyphenoxy)ethanethioamide
CAS Number:
35370-92-4
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD00052482
IUPAC Name:
2-(4-methoxyphenoxy)ethanethioamide
InChI:
InChI=1S/C9H11NO2S/c1-11-7-2-4-8(5-3-7)12-6-9(10)13/h2-5H,6H2,1H3,(H2,10,13)
InChI Key:
ZJMUDUBPOVRRFX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OCC(=S)N
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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