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79428-47-0 | Acetaldehyde, [(1,1-dimethylethyl)thio]-
CAS No: 79428-47-0 Catalog No: AG005208 MDL No:
Product Description
Catalog Number:
AG005208
Chemical Name:
Acetaldehyde, [(1,1-dimethylethyl)thio]-
CAS Number:
79428-47-0
Molecular Formula:
C6H12OS
Molecular Weight:
132.2239
IUPAC Name:
2-tert-butylsulfanylacetaldehyde
InChI:
InChI=1S/C6H12OS/c1-6(2,3)8-5-4-7/h4H,5H2,1-3H3
InChI Key:
KKNPUXNUUXPPIY-UHFFFAOYSA-N
SMILES:
O=CCSC(C)(C)C
Properties
Complexity:
73.1
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:
1.4
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