Home Other Building Blocks 1-[(2-methylpropyl)sulfanyl]propan-2-one

1-[(2-methylpropyl)sulfanyl]propan-2-one

CAS No.:
26728-61-0
Catalog Number:
AG01AGPY
Molecular Formula:
C7H14OS
Molecular Weight:
146.2505
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Product Description
Catalog Number:
AG01AGPY
Chemical Name:
1-[(2-methylpropyl)sulfanyl]propan-2-one
CAS Number:
26728-61-0
Molecular Formula:
C7H14OS
Molecular Weight:
146.2505
MDL Number:
MFCD12145552
IUPAC Name:
1-(2-methylpropylsulfanyl)propan-2-one
InChI:
InChI=1S/C7H14OS/c1-6(2)4-9-5-7(3)8/h6H,4-5H2,1-3H3
InChI Key:
JCBCXJLZLMQZNE-UHFFFAOYSA-N
SMILES:
CC(CSCC(=O)C)C
Properties
Complexity:
88.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.077g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.248g/mol
Monoisotopic Mass:
146.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties