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4-(Methylthio)aniline - 98%, high purity , CAS No.104-96-1

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 104-96-1
Molecular Weight: 139.22
Beilstein Registry Number: 774506
EC Number: 203-256-3
MDL number: MFCD00007889
PubChem CID: 66038
PubChem SID: 488183710

In stock

Item Number

M101835

Grouped product items
SKU	Size	Availability	Price
M101835-5g	5g	3	$31.90
M101835-10g	10g	2	$48.90
M101835-25g	25g	1	$93.90
M101835-100g	100g	1	$335.90
M101835-500g	500g	1	$1,508.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	DTXSID7059309 \| EINECS 203-256-3 \| STL164365 \| F2144-0013 \| PS-3196 \| AC-10934 \| PILOCARPINENITRATE \| p-Aminophenyl methyl sulfide \| 4-methylsulanylaniline \| H10709 \| 4-(Methylthio)aniline, redistilled from glass \| EN300-21720 \| 4-(methylmercapto) aniline
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Aryl thioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Aryl thioethers
Intermediate Tree Nodes	Not available
Direct Parent	Aryl thioethers
Alternative Parents	Thiophenol ethers Aniline and substituted anilines Alkylarylthioethers Sulfenyl compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aryl thioether - Aniline or substituted anilines - Thiophenol ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl 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	488183710
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183710
IUPAC Name	4-methylsulfanylaniline
INCHI	InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
InChIKey	YKFROQCFVXOUPW-UHFFFAOYSA-N
Smiles	CSC1=CC=C(C=C1)N
Isomeric SMILES	CSC1=CC=C(C=C1)N
WGK Germany	3
RTECS	BY6302000
Molecular Weight	139.22
Beilstein	774506
Reaxy-Rn	774506
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774506&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

14 results found

Lot Number	Certificate Type	Date	Item
B2429360	Certificate of Analysis	Mar 07, 2024	M101835
B2429361	Certificate of Analysis	Mar 07, 2024	M101835
B2429362	Certificate of Analysis	Mar 07, 2024	M101835
B2429364	Certificate of Analysis	Mar 07, 2024	M101835
B2429365	Certificate of Analysis	Mar 07, 2024	M101835
B2429359	Certificate of Analysis	Mar 07, 2024	M101835
B2429363	Certificate of Analysis	Mar 07, 2024	M101835
C2307917	Certificate of Analysis	Feb 20, 2023	M101835
C2307912	Certificate of Analysis	Feb 20, 2023	M101835
C2307914	Certificate of Analysis	Feb 20, 2023	M101835
C2307915	Certificate of Analysis	Feb 20, 2023	M101835
C2307851	Certificate of Analysis	Feb 20, 2023	M101835
C2307930	Certificate of Analysis	Feb 20, 2023	M101835
C2307913	Certificate of Analysis	Feb 20, 2023	M101835

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Chemical and Physical Properties

Sensitivity	air&light sensitive
Refractive Index	1.639
Flash Point(°F)	230 °F
Flash Point(°C)	> 110
Boil Point(°C)	272-273°C
Molecular Weight	139.220 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	139.046 Da
Monoisotopic Mass	139.046 Da
Topological Polar Surface Area	51.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	77.000
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

Citations of This Product

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