200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 161953-63-5
161953-63-5 | 1,4-Benzenediol, 2-ethyl-3-[(S)-(4-methylphenyl)sulfinyl]-
CAS No: 161953-63-5 Catalog No: AG001SJ4 MDL No:
Product Description
Catalog Number:
AG001SJ4
Chemical Name:
1,4-Benzenediol, 2-ethyl-3-[(S)-(4-methylphenyl)sulfinyl]-
CAS Number:
161953-63-5
Molecular Formula:
C15H16O3S
Molecular Weight:
276.3507
IUPAC Name:
2-ethyl-3-[(S)-(4-methylphenyl)sulfinyl]benzene-1,4-diol
InChI:
InChI=1S/C15H16O3S/c1-3-12-13(16)8-9-14(17)15(12)19(18)11-6-4-10(2)5-7-11/h4-9,16-17H,3H2,1-2H3/t19-/m0/s1
InChI Key:
ZGQKTZIDBRPKSW-IBGZPJMESA-N
SMILES:
CCc1c(O)ccc(c1[S@@](=O)c1ccc(cc1)C)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
276.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.35g/mol
Monoisotopic Mass:
276.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.