Home Other Building Blocks 2-(benzyloxy)ethanethioamide

2-(benzyloxy)ethanethioamide

CAS No.:
174827-44-2
Catalog Number:
AG01AHDN
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
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Product Description
Catalog Number:
AG01AHDN
Chemical Name:
2-(benzyloxy)ethanethioamide
CAS Number:
174827-44-2
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
MDL Number:
MFCD09946826
IUPAC Name:
2-phenylmethoxyethanethioamide
InChI:
InChI=1S/C9H11NOS/c10-9(12)7-11-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,12)
InChI Key:
LROCVRUZMNKOTO-UHFFFAOYSA-N
SMILES:
NC(=S)COCc1ccccc1
Properties
Complexity:
144  
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:
4  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties