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Home Other Building Blocks methyl 2-[(4-hydroxyphenyl)sulfanyl]acetate

methyl 2-[(4-hydroxyphenyl)sulfanyl]acetate

CAS No.:
30512-63-1
Catalog Number:
AG019ZIP
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
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Product Description
Catalog Number:
AG019ZIP
Chemical Name:
methyl 2-[(4-hydroxyphenyl)sulfanyl]acetate
CAS Number:
30512-63-1
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
MDL Number:
MFCD12776711
IUPAC Name:
methyl 2-(4-hydroxyphenyl)sulfanylacetate
InChI:
InChI=1S/C9H10O3S/c1-12-9(11)6-13-8-4-2-7(10)3-5-8/h2-5,10H,6H2,1H3
InChI Key:
DCSBCLDLEBBYAH-UHFFFAOYSA-N
SMILES:
COC(=O)CSc1ccc(cc1)O
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.035g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.236g/mol
Monoisotopic Mass:
198.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Synthesis and preliminary in vitro biological evaluation of 4-[(4-hydroxyphenyl)sulfanyl]but-3-en-2-one, a 4-mercaptophenol derivative designed as a novel bifunctional antimelanoma agent. Journal of medicinal chemistry 20090813
Properties