Home Other Building Blocks 3-methyl-3-(methylsulfanyl)butanal

3-methyl-3-(methylsulfanyl)butanal

CAS No.:
133567-89-2
Catalog Number:
AG01ALVE
Molecular Formula:
C6H12OS
Molecular Weight:
132.2239
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Product Description
Catalog Number:
AG01ALVE
Chemical Name:
3-methyl-3-(methylsulfanyl)butanal
CAS Number:
133567-89-2
Molecular Formula:
C6H12OS
Molecular Weight:
132.2239
MDL Number:
MFCD24677025
IUPAC Name:
3-methyl-3-methylsulfanylbutanal
InChI:
InChI=1S/C6H12OS/c1-6(2,8-3)4-5-7/h5H,4H2,1-3H3
InChI Key:
ACLCZPCTIIRMGJ-UHFFFAOYSA-N
SMILES:
CSC(CC=O)(C)C
Properties
Complexity:
78.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.061g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.221g/mol
Monoisotopic Mass:
132.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties