Home Other Building Blocks 1-{[2-(1-hydroxycyclobutyl)ethyl]sulfanyl}ethan-1-one

1-{[2-(1-hydroxycyclobutyl)ethyl]sulfanyl}ethan-1-one

CAS No.:
1909317-52-7
Catalog Number:
AG01C2FS
Molecular Formula:
C8H14O2S
Molecular Weight:
174.2606
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Product Description
Catalog Number:
AG01C2FS
Chemical Name:
1-{[2-(1-hydroxycyclobutyl)ethyl]sulfanyl}ethan-1-one
CAS Number:
1909317-52-7
Molecular Formula:
C8H14O2S
Molecular Weight:
174.2606
MDL Number:
MFCD29060297
IUPAC Name:
S-[2-(1-hydroxycyclobutyl)ethyl] ethanethioate
InChI:
InChI=1S/C8H14O2S/c1-7(9)11-6-5-8(10)3-2-4-8/h10H,2-6H2,1H3
InChI Key:
UFAPLDYPSGXKSZ-UHFFFAOYSA-N
SMILES:
CC(=O)SCCC1(O)CCC1
Properties
Complexity:
152  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
174.258g/mol
Monoisotopic Mass:
174.071g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties