Home Other Building Blocks 4-[(methylsulfanyl)methyl]cyclohexan-1-one

4-[(methylsulfanyl)methyl]cyclohexan-1-one

CAS No.:
1820718-23-7
Catalog Number:
AG01ANB2
Molecular Formula:
C8H14OS
Molecular Weight:
158.2612
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Product Description
Catalog Number:
AG01ANB2
Chemical Name:
4-[(methylsulfanyl)methyl]cyclohexan-1-one
CAS Number:
1820718-23-7
Molecular Formula:
C8H14OS
Molecular Weight:
158.2612
MDL Number:
MFCD29034207
IUPAC Name:
4-(methylsulfanylmethyl)cyclohexan-1-one
InChI:
InChI=1S/C8H14OS/c1-10-6-7-2-4-8(9)5-3-7/h7H,2-6H2,1H3
InChI Key:
QRSPXNQRKMRRHT-UHFFFAOYSA-N
SMILES:
CSCC1CCC(=O)CC1
Properties
Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.077g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.259g/mol
Monoisotopic Mass:
158.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties