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DL-Goitrin - 10mM in DMSO, high purity , CAS No.13190-34-6, Agonist of TAS2R38
a sulfur-containing oxazolidine, a cyclic thiocarbamate, that reduces the production of thyroid hormones such as thyroxine
Basic Description
Synonyms
DL-Goitrin | Goitrin | 13190-34-6 | 2-Oxazolidinethione, 5-ethenyl- | 5-Vinyloxazolidine-2-thione | 5-Ethenyl-2-oxazolidinethione | 5-ethenyl-1,3-oxazolidine-2-thione | 5-vinyl-2-thiooxazolidone | 5-Vinyl-2-oxazolidinethione | 5-vinylthiooxazolidone | (+/-)-goitrin | 5-vinylox
Specifications & Purity
Moligand™, 10mM in DMSO
Storage Temp
Protected from light,Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of TAS2R38
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azolidines
Subclass
Oxazolidines
Intermediate Tree Nodes
Not available
Direct Parent
Oxazolidines
Alternative Parents
Thiocarbamic acid esters Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Thiocarbamic acid ester - Oxazolidine - Thiocarbamic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as oxazolidines. These are compounds containing an oxazolidine moiety, which consists of a saturated aliphatic five-member ring with one oxygen atom, one nitrogen, three carbon atoms, and two double bonds.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Product Properties
pKa
pKa: 13.34 (Predicted), pKa: 0.81 (Predicted)
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
5-ethenyl-1,3-oxazolidine-2-thione
INCHI
InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)
InChIKey
UZQVYLOFLQICCT-UHFFFAOYSA-N
Smiles
C=CC1CNC(=S)O1
Isomeric SMILES
C=CC1CNC(=S)O1
Alternate CAS
13997-13-2,13190-34-6,500-12-9,500-12-9 (L)
MeSH Entry Terms
5-vinyl-2-thiooxazolidone;5-vinyloxazolidin-2-thione;5-vinyloxazolidine-2-thione;epigoitrin;goitrin;goitrin, (+-)-isomer;goitrin, (R)-isomer;goitrin, (S)-isomer
Molecular Weight
129.18
Beilstein
80669
Reaxy-Rn
108470
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108470&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
n20D1.57 (Predicted)
Boil Point(°C)
~150.60° C at 760 mmHg (Predicted)
Melt Point(°C)
61-66° C
Molecular Weight
129.180 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
129.025 Da
Monoisotopic Mass
129.025 Da
Topological Polar Surface Area
53.400 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
124.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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