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13095-73-3 | Butanoic acid, 4-mercapto-
CAS No: 13095-73-3 Catalog No: AG000V5R MDL No:MFCD00053842
Product Description
Catalog Number:
AG000V5R
Chemical Name:
Butanoic acid, 4-mercapto-
CAS Number:
13095-73-3
Molecular Formula:
C4H8O2S
Molecular Weight:
120.1701
MDL Number:
MFCD00053842
IUPAC Name:
4-sulfanylbutanoic acid
InChI:
InChI=1S/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)
InChI Key:
DTRIDVOOPAQEEL-UHFFFAOYSA-N
SMILES:
SCCCC(=O)O
EC Number:
236-013-5
Properties
Complexity:
62.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.025g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
120.166g/mol
Monoisotopic Mass:
120.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Does activation of the anti proton, rather than concertedness, determine the stereochemistry of base-catalyzed 1,2-elimination reactions? Anti stereospecificity in E1cB eliminations of β-3-trifluoromethylphenoxy esters, thioesters, and ketones. | The Journal of organic chemistry 20120316 |
| Olive oil-based fat emulsion versus soy oil-based fat emulsion in abdominal oncologic surgery. | Nutrition in clinical practice : official publication of the American Society for Parenteral and Enteral Nutrition 20110201 |
| Microbial 1-butanol production: Identification of non-native production routes and in silico engineering interventions. | Biotechnology journal 20100701 |
| Biodegradation of the xenobiotic organic disulphide 4,4'-dithiodibutyric acid by Rhodococcus erythropolis strain MI2 and comparison with the microbial utilization of 3,3'-dithiodipropionic acid and 3,3'-thiodipropionic acid. | Microbiology (Reading, England) 20100401 |
| Inhibitors of bacterial N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) and demonstration of in vitro antimicrobial activity. | Bioorganic & medicinal chemistry letters 20091115 |
| Effects of 4-methylimidazole on cerebral glutamate decarboxylase activity and specific GABA receptor binding in mice. | Toxicology mechanisms and methods 20090301 |
| Comparison of oxidative stress among migraineurs, tension-type headache subjects, and a control group. | Annals of Indian Academy of Neurology 20090101 |
| Protective role of vitamin E on the harmful effects of toluene on brain tissue. | Neurosciences (Riyadh, Saudi Arabia) 20070701 |
| Novel precursor substrates for polythioesters (PTE) and limits of PTE biosynthesis in Ralstonia eutropha. | FEMS microbiology letters 20030425 |
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