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192462-20-7 | Thiophene, 2,4-bis(1,1-dimethylethyl)-, 1-oxide
CAS No: 192462-20-7 Catalog No: AG002FZV MDL No:
Product Description
Catalog Number:
AG002FZV
Chemical Name:
Thiophene, 2,4-bis(1,1-dimethylethyl)-, 1-oxide
CAS Number:
192462-20-7
Molecular Formula:
C12H20OS
Molecular Weight:
212.3516
IUPAC Name:
2,4-ditert-butylthiophene 1-oxide
InChI:
InChI=1S/C12H20OS/c1-11(2,3)9-7-10(12(4,5)6)14(13)8-9/h7-8H,1-6H3
InChI Key:
MJRBEMYWWPMPCB-UHFFFAOYSA-N
SMILES:
O=s1cc(cc1C(C)(C)C)C(C)(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.123g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.351g/mol
Monoisotopic Mass:
212.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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