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60759-02-6 | 2-(4-Methoxyphenyl)ethanethioamide
CAS No: 60759-02-6 Catalog No: AG003EWW MDL No:MFCD00278203
Product Description
Catalog Number:
AG003EWW
Chemical Name:
2-(4-Methoxyphenyl)ethanethioamide
CAS Number:
60759-02-6
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
MDL Number:
MFCD00278203
IUPAC Name:
2-(4-methoxyphenyl)ethanethioamide
InChI:
InChI=1S/C9H11NOS/c1-11-8-4-2-7(3-5-8)6-9(10)12/h2-5H,6H2,1H3,(H2,10,12)
InChI Key:
MODILKKAFDHZPH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC(=S)N
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.253g/mol
Monoisotopic Mass:
181.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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