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1-(3-(Methylthio)phenyl)piperazine - ≥97%, high purity , CAS No.76002-51-2

COA

Grade & Purity:

≥97%

Cas Number: 76002-51-2
MDL number: MFCD00129750
PubChem CID: 12923180

In stock

Item Number

P768950

Grouped product items
SKU	Size	Availability	Price	Qty
P768950-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$59.90
P768950-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$141.90

Basic Description

Specifications & Purity	≥97%
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 Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpiperazines
Alternative Parents	N-arylpiperazines Thiophenol ethers Dialkylarylamines Aniline and substituted anilines Alkylarylthioethers Sulfenyl compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Thiophenol ether - Aryl thioether - Dialkylarylamine - Aniline or substituted anilines - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Sulfenyl compound - Thioether - Secondary amine - Secondary aliphatic amine - Azacycle - Amine - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine 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

IUPAC Name	1-(3-methylsulfanylphenyl)piperazine
INCHI	InChI=1S/C11H16N2S/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3
InChIKey	XCMHZUWCZNJMKA-UHFFFAOYSA-N
Smiles	CSC1=CC=CC(=C1)N2CCNCC2
Isomeric SMILES	CSC1=CC=CC(=C1)N2CCNCC2
PubChem CID	12923180

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	208.330 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	208.103 Da
Monoisotopic Mass	208.103 Da
Topological Polar Surface Area	40.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	169.000
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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