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3-Chlorothioanisole - 97%, high purity , CAS No.4867-37-2

COA

Grade & Purity:

≥97%

Cas Number: 4867-37-2
Molecular Weight: 158.65
Beilstein Registry Number: 6(4)1576
MDL number: MFCD00040127
PubChem CID: 97585

In stock

Item Number

C101839

Grouped product items
SKU	Size	Availability	Price
C101839-1g	1g	3	$9.90
C101839-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$15.90
C101839-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$61.90

View related series

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

Basic Description

Synonyms	3-Cpms \| FT-0615534 \| InChI=1/C7H7ClS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H \| MFCD06796535 \| Ethanone, 1-(6-bromo-3-pyridinyl)- \| PS-6251 \| m-chlorophenyl methyl sulphide \| 1-Chloro-3-(methylthio)benzene \| 3-Chlorothioanisole \| DTXSID50197575 \| (3-chlorophenyl)(m
Specifications & Purity	≥97%
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 Chlorobenzenes Alkylarylthioethers Aryl chlorides Sulfenyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aryl thioether - Thiophenol ether - Alkylarylthioether - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Sulfenyl compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - 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

IUPAC Name	1-chloro-3-methylsulfanylbenzene
INCHI	InChI=1S/C7H7ClS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey	PTGSDZVASWKUHK-UHFFFAOYSA-N
Smiles	CSC1=CC(=CC=C1)Cl
Isomeric SMILES	CSC1=CC(=CC=C1)Cl
WGK Germany	3
Molecular Weight	158.65
Beilstein	6(4)1576
Reaxy-Rn	1931485
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1931485&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.

4 results found

Lot Number	Certificate Type	Date	Item
H2408307	Certificate of Analysis	Jun 28, 2024	C101839
K2408273	Certificate of Analysis	Jun 28, 2024	C101839
K2408274	Certificate of Analysis	Jun 28, 2024	C101839
J1217018	Certificate of Analysis	Jun 04, 2024	C101839

Chemical and Physical Properties

Refractive Index	1.6
Flash Point(°F)	106 °C
Flash Point(°C)	106°C
Boil Point(°C)	234°C
Molecular Weight	158.650 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	157.996 Da
Monoisotopic Mass	157.996 Da
Topological Polar Surface Area	25.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	85.000
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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