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116560-69-1 | Cyclohexane, 4-methyl-1-(1-methylethyl)-2-(methylthio)-, (1S,2S,4R)-
CAS No: 116560-69-1 Catalog No: AG000CS6 MDL No:
Product Description
Catalog Number:
AG000CS6
Chemical Name:
Cyclohexane, 4-methyl-1-(1-methylethyl)-2-(methylthio)-, (1S,2S,4R)-
CAS Number:
116560-69-1
Molecular Formula:
C11H22S
Molecular Weight:
186.3574
IUPAC Name:
4-methyl-2-methylsulfanyl-1-propan-2-ylcyclohexane
InChI:
InChI=1S/C11H22S/c1-8(2)10-6-5-9(3)7-11(10)12-4/h8-11H,5-7H2,1-4H3
InChI Key:
MGALEMIAZQXZEO-UHFFFAOYSA-N
SMILES:
CS[C@H]1C[C@H](C)CC[C@H]1C(C)C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.144g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.357g/mol
Monoisotopic Mass:
186.144g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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