The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
4,6-Dibromobenzooxazole-2-thione - 96%, high purity , CAS No.1215206-48-6
Discover 4,6-Dibromobenzooxazole-2-thione by Aladdin Scientific in 96% for only $1,958.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4,6-Dibromobenzooxazole-2-thione | 1215206-48-6 | 4,6-dibromo-3H-1,3-benzoxazole-2-thione | 4,6-Dibromobenzo[d]oxazole-2(3H)-thione | 4,6-Dibromo-1,3-benzoxazole-2(3H)-thione | DTXSID70682074 | MFCD15143581 | AKOS015835455 | 2(3H)-Benzoxazolethione, 4,6-dibromo- | BS-21018
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazoles
Alternative Parents
Benzenoids Aryl bromides Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Aryl bromide - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Oxacycle - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.
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.
Names and Identifiers
IUPAC Name
4,6-dibromo-3H-1,3-benzoxazole-2-thione
INCHI
InChI=1S/C7H3Br2NOS/c8-3-1-4(9)6-5(2-3)11-7(12)10-6/h1-2H,(H,10,12)
InChIKey
CZCGAMAWAYOEJD-UHFFFAOYSA-N
Smiles
C1=C(C=C(C2=C1OC(=S)N2)Br)Br
Isomeric SMILES
C1=C(C=C(C2=C1OC(=S)N2)Br)Br
PubChem CID
53216946
Molecular Weight
309
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
308.980 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
308.828 Da
Monoisotopic Mass
306.83 Da
Topological Polar Surface Area
53.400 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
214.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
