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999-90-6 | S-tert-Butyl thioacetate
CAS No: 999-90-6 Catalog No: AG003UFH MDL No:
Product Description
Catalog Number:
AG003UFH
Chemical Name:
S-tert-Butyl thioacetate
CAS Number:
999-90-6
IUPAC Name:
S-tert-butyl ethanethioate
InChI:
InChI=1S/C6H12OS/c1-5(7)8-6(2,3)4/h1-4H3
InChI Key:
PJFHXBBYLAVSLJ-UHFFFAOYSA-N
Properties
Complexity:
91.2
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:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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