200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 847432-20-6
847432-20-6 | Benzoic acid, 4-[(2-butyl-1,3-dithiolan-2-yl)ethynyl]-, methyl ester
CAS No: 847432-20-6 Catalog No: AG004OYQ MDL No:
Product Description
Catalog Number:
AG004OYQ
Chemical Name:
Benzoic acid, 4-[(2-butyl-1,3-dithiolan-2-yl)ethynyl]-, methyl ester
CAS Number:
847432-20-6
Molecular Formula:
C17H20O2S2
Molecular Weight:
320.4695
IUPAC Name:
methyl 4-[2-(2-butyl-1,3-dithiolan-2-yl)ethynyl]benzoate
InChI:
InChI=1S/C17H20O2S2/c1-3-4-10-17(20-12-13-21-17)11-9-14-5-7-15(8-6-14)16(18)19-2/h5-8H,3-4,10,12-13H2,1-2H3
InChI Key:
CAYWRUSGGCEQFW-UHFFFAOYSA-N
SMILES:
CCCCC1(SCCS1)C#Cc1ccc(cc1)C(=O)OC
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.465g/mol
Monoisotopic Mass:
320.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.