200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116375-45-2
116375-45-2 | Thiophene, 3,4-bis(1,1-dimethylethyl)-, 1,1-dioxide
CAS No: 116375-45-2 Catalog No: AG000CCK MDL No:
Product Description
Catalog Number:
AG000CCK
Chemical Name:
Thiophene, 3,4-bis(1,1-dimethylethyl)-, 1,1-dioxide
CAS Number:
116375-45-2
Molecular Formula:
C12H20O2S
Molecular Weight:
228.3510
IUPAC Name:
3,4-ditert-butylthiophene 1,1-dioxide
InChI:
InChI=1S/C12H20O2S/c1-11(2,3)9-7-15(13,14)8-10(9)12(4,5)6/h7-8H,1-6H3
InChI Key:
IHZASRLZINFKKT-UHFFFAOYSA-N
SMILES:
CC(C1=CS(=O)(=O)C=C1C(C)(C)C)(C)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.118g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.35g/mol
Monoisotopic Mass:
228.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.