200,000+ products from a single source!
sales@angenechem.com
819079-72-6 | Acetic acid, (methylsulfonyl)-, 2-(2-heptynylthio)phenyl ester
CAS No: 819079-72-6 Catalog No: AG005GD0 MDL No:
Product Description
Catalog Number:
AG005GD0
Chemical Name:
Acetic acid, (methylsulfonyl)-, 2-(2-heptynylthio)phenyl ester
CAS Number:
819079-72-6
Molecular Formula:
C16H20O4S2
Molecular Weight:
340.4576
IUPAC Name:
(2-hept-2-ynylsulfanylphenyl) 2-methylsulfonylacetate
InChI:
InChI=1S/C16H20O4S2/c1-3-4-5-6-9-12-21-15-11-8-7-10-14(15)20-16(17)13-22(2,18)19/h7-8,10-11H,3-5,12-13H2,1-2H3
InChI Key:
OVCYZCAEMKQHDC-UHFFFAOYSA-N
SMILES:
CCCCC#CCSc1ccccc1OC(=O)CS(=O)(=O)C
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.452g/mol
Monoisotopic Mass:
340.08g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
94.1A^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.