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1H-Tetrazole， 5-(ethylsulfonyl)-1-phenyl- - ≥95%, high purity , CAS No.3206-46-0

COA

Grade & Purity:

≥95%

Cas Number: 3206-46-0
Molecular Weight: 238.2663
MDL number: MFCD00447901
PubChem CID: 753662

In stock

Item Number

H769416

Grouped product items
SKU	Size	Availability	Price	Qty
H769416-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Tetrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Tetrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenyltetrazoles and derivatives
Alternative Parents	Benzene and substituted derivatives Sulfones Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenyltetrazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Sulfone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

INCHI	InChI=1S/C9H10N4O2S/c1-2-16(14,15)9-10-11-12-13(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey	VZFCSFHTLJFUKD-UHFFFAOYSA-N
Smiles	CCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2
Isomeric SMILES	CCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2
Molecular Weight	238.2663

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	435.3±28.0°C(Predicted)
Melt Point(°C)	73-74 °C
Molecular Weight	238.270 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	238.052 Da
Monoisotopic Mass	238.052 Da
Topological Polar Surface Area	86.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	321.000
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

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