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128788-04-5 | Thiophene, 2,3-bis(1,1-dimethylethyl)-
CAS No: 128788-04-5 Catalog No: AG000YEO MDL No:
Product Description
Catalog Number:
AG000YEO
Chemical Name:
Thiophene, 2,3-bis(1,1-dimethylethyl)-
CAS Number:
128788-04-5
Molecular Formula:
C12H20S
Molecular Weight:
196.3522
IUPAC Name:
2,3-ditert-butylthiophene
InChI:
InChI=1S/C12H20S/c1-11(2,3)9-7-8-13-10(9)12(4,5)6/h7-8H,1-6H3
InChI Key:
UGSHDMAFOIOKNY-UHFFFAOYSA-N
SMILES:
CC(c1sccc1C(C)(C)C)(C)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.129g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.352g/mol
Monoisotopic Mass:
196.129g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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