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{5-[(4-Bromophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methanol - 95%, high purity , CAS No.318247-56-2

COA

Grade & Purity:

≥95%

Cas Number: 318247-56-2
Molecular Weight: 375.29
PubChem CID: 1476540
PubChem SID: 488191836

In stock

Item Number

B356009

Grouped product items
SKU	Size	Availability	Price
B356009-100mg	100mg	2	$309.90
B356009-500mg	500mg	2	$1,143.90
B356009-1g	1g	1	$2,059.90

Discover {5-[(4-Bromophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methanol by Aladdin Scientific in 95% for only $309.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4K-327S \| (5-((4-bromophenyl)thio)-1-methyl-3-phenyl-1H-pyrazol-4-yl)methanol \| Bionet1_001757 \| J-501489 \| HMS573D19 \| DTXSID70363098 \| {5-[(4-bromophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methanol \| MFCD00244938 \| [5-(4-bromophenyl)sulfanyl-1-
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Diarylthioethers Thiophenol ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Diarylthioether - Aryl thioether - Thiophenol ether - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alcohol - Primary alcohol - Organic oxygen compound - Aromatic alcohol - Organopnictogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole 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

Pubchem Sid	488191836
IUPAC Name	[5-(4-bromophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol
INCHI	InChI=1S/C17H15BrN2OS/c1-20-17(22-14-9-7-13(18)8-10-14)15(11-21)16(19-20)12-5-3-2-4-6-12/h2-10,21H,11H2,1H3
InChIKey	UZPXOUHEPKIFIX-UHFFFAOYSA-N
Smiles	CN1C(=C(C(=N1)C2=CC=CC=C2)CO)SC3=CC=C(C=C3)Br
Isomeric SMILES	CN1C(=C(C(=N1)C2=CC=CC=C2)CO)SC3=CC=C(C=C3)Br
PubChem CID	1476540
Molecular Weight	375.29

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
K2216149	Certificate of Analysis	Sep 24, 2022	B356009
K2216148	Certificate of Analysis	Sep 24, 2022	B356009
B2518124	Certificate of Analysis	Sep 24, 2022	B356009
K2216230	Certificate of Analysis	Sep 24, 2022	B356009
K2216223	Certificate of Analysis	Sep 24, 2022	B356009
K2216226	Certificate of Analysis	Sep 24, 2022	B356009
K2216222	Certificate of Analysis	Sep 24, 2022	B356009

Chemical and Physical Properties

Melt Point(°C)	148-150°
Molecular Weight	375.300 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	374.009 Da
Monoisotopic Mass	374.009 Da
Topological Polar Surface Area	63.400 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	346.000
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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