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4-(Methylsulfanyl)thiophenol - 96%, high purity , CAS No.1122-97-0

1 Citations

COA

Grade & Purity:

≥96%

Cas Number: 1122-97-0
Molecular Weight: 156.27
Beilstein Registry Number: 6(4)5840
MDL number: MFCD00082770
PubChem CID: 136896

In stock

Item Number

M101782

Grouped product items
SKU	Size	Availability	Price	Qty
M101782-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$31.90
M101782-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$122.90

View related series

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

Basic Description

Synonyms	4-Methylthiothiophenol \| 4-(Methylsulfanyl)benzenethiol # \| BP-10916 \| DTXSID4058865 \| SCHEMBL487511 \| 4-methylthio-thiophenol \| FT-0615196 \| M1823 \| 4-(Methylsulfanyl)thiophenol, 96% \| 4-methylsulfanylbenzenethiol \| 4-methylsulfanyl-benzenethiol \| DTXSID
Specifications & Purity	≥96%
Storage Temp	Store at 2-8°C,Argon charged
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 Benzenoids
  - Class Thiophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Thiophenols
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thiophenols
Alternative Parents	Thiophenol ethers Alkylarylthioethers Benzene and substituted derivatives Sulfenyl compounds Thiols Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aryl thioether - Thiophenol ether - Thiophenol - Alkylarylthioether - Monocyclic benzene moiety - Sulfenyl compound - Arylthiol - Thioether - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
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	4-methylsulfanylbenzenethiol
INCHI	InChI=1S/C7H8S2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChIKey	KYMOWQQIZINTJZ-UHFFFAOYSA-N
Smiles	CSC1=CC=C(C=C1)S
Isomeric SMILES	CSC1=CC=C(C=C1)S
WGK Germany	3
Molecular Weight	156.27
Beilstein	6(4)5840
Reaxy-Rn	1931500
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1931500&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.

5 results found

Lot Number	Certificate Type	Date	Item
E2515517	Certificate of Analysis	Apr 19, 2025	M101782
E2529660	Certificate of Analysis	Apr 19, 2025	M101782
E2515515	Certificate of Analysis	Apr 19, 2025	M101782
H2315359	Certificate of Analysis	Aug 08, 2023	M101782
H2315358	Certificate of Analysis	Aug 08, 2023	M101782

Chemical and Physical Properties

Sensitivity	Air sensitive.
Refractive Index	1.65
Flash Point(°F)	>230 °F
Flash Point(°C)	>110 °C
Boil Point(°C)	117°C/3mmHg
Melt Point(°C)	19-23°C
Molecular Weight	156.300 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	156.007 Da
Monoisotopic Mass	156.007 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	75.000
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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