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4-(Methylthio)-m-cresol - >98.0%(GC), high purity , CAS No.3120-74-9

COA

Grade & Purity:

≥98%(GC)

Cas Number: 3120-74-9
Molecular Weight: 154.23
MDL number: MFCD00045773
PubChem CID: 18391
PubChem SID: 488182469

In stock

Item Number

M158095

Grouped product items
SKU	Size	Availability	Price
M158095-1g	1g	10	$9.90
M158095-5g	5g	10	$23.90
M158095-25g	25g	3	$92.90

View related series

Non heterocyclic block (8163) phenol (506)

Basic Description

Synonyms	DTXCID3030559 \| Methylthiomethylphenol \| p-Methylthio-m-cresol \| UNII-304RF69F8F \| 4-Methylthio-meta-cresol \| CAS-3120-74-9 \| Q27117942 \| M0531 \| CCG-40509 \| 4-methylsulfanyl-3-methyl-phenol \| NCGC00357052-01 \| 4-methylmercapto-3-methylphenol \| 3-methyl-4
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Cresols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Cresols
Intermediate Tree Nodes	Not available
Direct Parent	Meta cresols
Alternative Parents	Thiophenol ethers Toluenes Alkylarylthioethers 1-hydroxy-2-unsubstituted benzenoids Sulfenyl compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aryl thioether - Thiophenol ether - M-cresol - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Sulfenyl compound - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively.
External Descriptors	aryl sulfide - phenols
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	488182469
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182469
IUPAC Name	3-methyl-4-methylsulfanylphenol
INCHI	InChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3
InChIKey	VKALYYFVKBXHTF-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)O)SC
Isomeric SMILES	CC1=C(C=CC(=C1)O)SC
WGK Germany	3
RTECS	GP2225000
Molecular Weight	154.23
Reaxy-Rn	1210322
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1210322&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
D2320193	Certificate of Analysis	Sep 19, 2022	M158095
D2320190	Certificate of Analysis	Sep 19, 2022	M158095
K1827076	Certificate of Analysis	Sep 19, 2022	M158095
K1827013	Certificate of Analysis	Sep 19, 2022	M158095

Chemical and Physical Properties

Solubility	Soluble in Methanol
Boil Point(°C)	151°C
Melt Point(°C)	56-60°C
Molecular Weight	154.230 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	154.045 Da
Monoisotopic Mass	154.045 Da
Topological Polar Surface Area	45.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105.000
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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