200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88961-87-9
88961-87-9 | Ethanone, 1-[5-[2-[[(4-methylphenyl)sulfonyl]oxy]propyl]-2-thienyl]-
CAS No: 88961-87-9 Catalog No: AG0047I8 MDL No:
Product Description
Catalog Number:
AG0047I8
Chemical Name:
Ethanone, 1-[5-[2-[[(4-methylphenyl)sulfonyl]oxy]propyl]-2-thienyl]-
CAS Number:
88961-87-9
Molecular Formula:
C16H18O4S2
Molecular Weight:
338.4417
IUPAC Name:
1-(5-acetylthiophen-2-yl)propan-2-yl 4-methylbenzenesulfonate
InChI:
InChI=1S/C16H18O4S2/c1-11-4-7-15(8-5-11)22(18,19)20-12(2)10-14-6-9-16(21-14)13(3)17/h4-9,12H,10H2,1-3H3
InChI Key:
YPNNDCYMWSFVRT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OC(Cc1ccc(s1)C(=O)C)C
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.065g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.436g/mol
Monoisotopic Mass:
338.065g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.