Home Other Building Blocks 1-[(4-phenylcyclohexyl)sulfanyl]ethan-1-one

1-[(4-phenylcyclohexyl)sulfanyl]ethan-1-one

CAS No.:
1803582-74-2
Catalog Number:
AG01BATT
Molecular Formula:
C14H18OS
Molecular Weight:
234.3571
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Product Description
Catalog Number:
AG01BATT
Chemical Name:
1-[(4-phenylcyclohexyl)sulfanyl]ethan-1-one
CAS Number:
1803582-74-2
Molecular Formula:
C14H18OS
Molecular Weight:
234.3571
MDL Number:
MFCD28505762
IUPAC Name:
S-(4-phenylcyclohexyl) ethanethioate
InChI:
InChI=1S/C14H18OS/c1-11(15)16-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3
InChI Key:
KSBGAXGPVWNQBI-UHFFFAOYSA-N
SMILES:
CC(=O)SC1CCC(CC1)c1ccccc1
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.108g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.357g/mol
Monoisotopic Mass:
234.108g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties