Home Other Building Blocks 1-{[(4,4-dimethylcyclohexyl)methyl]sulfanyl}ethan-1-one

1-{[(4,4-dimethylcyclohexyl)methyl]sulfanyl}ethan-1-one

CAS No.:
1803609-47-3
Catalog Number:
AG01BGR4
Molecular Formula:
C11H20OS
Molecular Weight:
200.3409
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Product Description
Catalog Number:
AG01BGR4
Chemical Name:
1-{[(4,4-dimethylcyclohexyl)methyl]sulfanyl}ethan-1-one
CAS Number:
1803609-47-3
Molecular Formula:
C11H20OS
Molecular Weight:
200.3409
MDL Number:
MFCD28125225
IUPAC Name:
S-[(4,4-dimethylcyclohexyl)methyl] ethanethioate
InChI:
InChI=1S/C11H20OS/c1-9(12)13-8-10-4-6-11(2,3)7-5-10/h10H,4-8H2,1-3H3
InChI Key:
YTBRRRJKBFXNPL-UHFFFAOYSA-N
SMILES:
CC(=O)SCC1CCC(CC1)(C)C
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.123g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.34g/mol
Monoisotopic Mass:
200.123g/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