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Home Other Building Blocks Phenol, 2-(2-heptyn-1-ylthio)-, 1-acetate

Phenol, 2-(2-heptyn-1-ylthio)-, 1-acetate

CAS No.:
209125-28-0
Catalog Number:
AG002K1V
Molecular Formula:
C15H18O2S
Molecular Weight:
262.3672
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Product Description
Catalog Number:
AG002K1V
Chemical Name:
Phenol, 2-(2-heptyn-1-ylthio)-, 1-acetate
CAS Number:
209125-28-0
Molecular Formula:
C15H18O2S
Molecular Weight:
262.3672
IUPAC Name:
(2-hept-2-ynylsulfanylphenyl) acetate
InChI:
InChI=1S/C15H18O2S/c1-3-4-5-6-9-12-18-15-11-8-7-10-14(15)17-13(2)16/h7-8,10-11H,3-5,12H2,1-2H3
InChI Key:
GXMBHQRROXQUJS-UHFFFAOYSA-N
SMILES:
CCCCC#CCSc1ccccc1OC(=O)C
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.103g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.367g/mol
Monoisotopic Mass:
262.103g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Spectrum of antiviral activity of o-(acetoxyphenyl)hept-2-ynyl sulphide (APHS). International journal of antimicrobial agents 20050501
APHS can act synergically with clinically available HIV-1 reverse transcriptase and protease inhibitors and is active against several drug-resistant HIV-1 strains in vitro. The Journal of antimicrobial chemotherapy 20030501
Aspirin-like molecules that inhibit human immunodeficiency virus 1 replication. Antiviral research 20030501
Neuroprotection of cultured cortical neurons mediated by the cyclooxygenase-2 inhibitor APHS can be reversed by a prostanoid. Journal of neuroscience research 20030101
Properties