Home Other Building Blocks 1-[(oxan-3-ylmethyl)sulfanyl]ethan-1-one

1-[(oxan-3-ylmethyl)sulfanyl]ethan-1-one

CAS No.:
1935893-64-3
Catalog Number:
AG01EB47
Molecular Formula:
C8H14O2S
Molecular Weight:
174.2606
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Product Description
Catalog Number:
AG01EB47
Chemical Name:
1-[(oxan-3-ylmethyl)sulfanyl]ethan-1-one
CAS Number:
1935893-64-3
Molecular Formula:
C8H14O2S
Molecular Weight:
174.2606
MDL Number:
MFCD31736488
IUPAC Name:
S-(oxan-3-ylmethyl) ethanethioate
InChI:
InChI=1S/C8H14O2S/c1-7(9)11-6-8-3-2-4-10-5-8/h8H,2-6H2,1H3
InChI Key:
AEZIXXSDQGUEHC-UHFFFAOYSA-N
SMILES:
CC(=O)SCC1CCCOC1
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.071g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.258g/mol
Monoisotopic Mass:
174.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties