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1-Pentanethiol

CAS No.:
110-66-7
Catalog Number:
AG003ELA
Molecular Formula:
C5H12S
Molecular Weight:
104.2138
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Product Description
Catalog Number:
AG003ELA
Chemical Name:
1-Pentanethiol
CAS Number:
110-66-7
Molecular Formula:
C5H12S
Molecular Weight:
104.2138
MDL Number:
MFCD00004907
IUPAC Name:
pentane-1-thiol
InChI:
InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChI Key:
ZRKMQKLGEQPLNS-UHFFFAOYSA-N
SMILES:
CCCCCS
EC Number:
203-789-1
UNII:
9A3YK965F3
FEMA Number:
4333
RTECS Number:
SA3150000
UN Number:
1111
Properties
Complexity:
19.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.066g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
104.211g/mol
Monoisotopic Mass:
104.066g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Determination of polycyclic aromatic hydrocarbons with molecular weight 302 in water samples by solid-phase nano-extraction and laser excited time-resolved Shpol'skii spectroscopy. The Analyst 20110821
Aqueous photoreduction of oxidized mercury species in presence of selected alkanethiols. Chemosphere 20110801
The location of olfactory receptors within olfactory epithelium is independent of odorant volatility and solubility. BMC research notes 20110101
Organozirconium complexes as catalysts for Markovnikov-selective intermolecular hydrothiolation of terminal alkynes: scope and mechanism. Journal of the American Chemical Society 20100804
Impedance differences found with n-alkanethiol monolayers prepared by contact printing and solution adsorption. Journal of colloid and interface science 20090815
Solid-phase nano-extraction and laser-excited time-resolved Shpol'skii spectroscopy for the analysis of polycyclic aromatic hydrocarbons in drinking water samples. Analytical biochemistry 20090215
Kinetic and theoretical study of the reaction of Cl atoms with a series of linear thiols. The Journal of chemical physics 20081121
Determination of volatile organic sulfur compounds in the air at sewage management areas by thermal desorption and gas chromatography-mass spectrometry. Talanta 20080115
Sanguinarine downregulates AT1a gene expression in a hypertensive rat model. Journal of cardiovascular pharmacology 20060801
Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene. The journal of physical chemistry. B 20051222
Chemical compounds that target thiol-disulfide groups on mononuclear phagocytes inhibit immune mediated phagocytosis of red blood cells. Transfusion 20050301
Separation of thiol and cyanide hydrolysis products of chemical warfare agents by capillary electrophoresis. Electrophoresis 20040301
Structure-activity relationships of (S,Z)-2-aminopurine methylenecyclopropane analogues of nucleosides. Variation of purine-6 substituents and activity against herpesviruses and hepatitis B virus. Journal of medicinal chemistry 20030410
Effect of manual hyperinflation on haemodynamics in an animal model. Physiotherapy research international : the journal for researchers and clinicians in physical therapy 20030101
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