8-Mercaptooctanoic acid - CAS 74328-61-3

Catalog:	BB035061
Product Name:	8-Mercaptooctanoic acid
CAS:	74328-61-3
Synonyms:	8-sulfanyloctanoic acid

Technical Data

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Computed Properties

IUPAC Name:	8-sulfanyloctanoic acid
Description:	8-Mercaptooctanoic acid (CAS# 74328-61-3 ) is a useful research chemical.
Molecular Weight:	176.28
Molecular Formula:	C8H16O2S
Canonical SMILES:	C(CCCC(=O)O)CCCS
InChI:	InChI=1S/C8H16O2S/c9-8(10)6-4-2-1-3-5-7-11/h11H,1-7H2,(H,9,10)
InChI Key:	FYEMIKRWWMYBFG-UHFFFAOYSA-N
Boiling Point:	302 °C at 760 mmHg
Purity:	95 %
Density:	1.0326 g/cm³
Appearance:	Colorless to brown liquid
Storage:	-20 °C
MDL:	MFCD08705279
LogP:	2.34140
Refractive Index:	1.4808

Publication Number	Title	Priority Date
WO-2021097256-A1	Cxcr4 antagonist peptides	20191114
WO-2021072118-A1	Curable polymeric compositions	20191009
WO-2021048646-A1	Bioreceptor molecules, the use of bioreceptor molecules, sensors containing electrodes modified with the said bioreceptor molecules and the detection method of sars-cov-2 virus	20190909
WO-2021030687-A1	Therapeutic peptides	20190815
WO-2021030749-A1	Therapeutic peptides	20190815

PMID	Publication Date	Title	Journal
22393052	20120420	Menaquinone-7 is specific cofactor in tetraheme quinol dehydrogenase CymA	The Journal of biological chemistry
22401500	20120308	Rapid identification of Mycobacterium tuberculosis infection by a new array format-based surface plasmon resonance method	Nanoscale research letters
22666007	20120101	Clinical application of surface plasmon resonance-based biosensors for fetal fibronectin detection	Sensors (Basel, Switzerland)
12820892	20030701	Chain cleavage and sulfoxidation of thiastearoyl-ACP upon reaction with stearoyl-ACP desaturase	Biochemistry

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
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[85-47-2]
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[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.08710092
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	176.08710092
Rotatable Bond Count:	7
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9