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Tris(methylthio)methane - 98%, high purity , CAS No.5418-86-0

COA

Grade & Purity:

≥98%

Cas Number: 5418-86-0
Molecular Weight: 154.32
MDL number: MFCD00009851
PubChem CID: 138491

In stock

Item Number

T473402

Grouped product items
SKU	Size	Availability	Price	Qty
T473402-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$175.90

Basic Description

Synonyms	Tris(methylthio)methane, >=98% \| DTXSID60202528 \| Tris(methylsulfanyl)methane \| Tris(methylthio)methane \| SCHEMBL1713361 \| Trimethyl trithioorthoformate \| SY291242 \| Tris(methylthio)methane, 98% \| Tris(methythio)methane \| Methyl orthotrithioformate \| tri(
Specifications & Purity	≥98%
Product Description	Description Tris(methylthio)methane is a carboxylic anion equivalent.Tris(methylthio)methane has been used in synthesis of:(−)-nephrosteranic acid and (−)-roccellaric acid(4R,5R)-5-({[1-(tert-butyl)-1,1-diphenylsilyl]oxy}methyl)4-[tri(methylthio)methyl]tetrahydro-furan-2-oneterminal difluoromethylenes

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Dialkylthioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Dialkylthioethers
Intermediate Tree Nodes	Not available
Direct Parent	Dialkylthioethers
Alternative Parents	Sulfenyl compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Dialkylthioether - Sulfenyl compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups.
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	tris(methylsulfanyl)methane
INCHI	InChI=1S/C4H10S3/c1-5-4(6-2)7-3/h4H,1-3H3
InChIKey	YFMZQCCTZUJXEB-UHFFFAOYSA-N
Smiles	CSC(SC)SC
Isomeric SMILES	CSC(SC)SC
WGK Germany	3
PubChem CID	138491
Molecular Weight	154.32

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	186.8 °F
Flash Point(°C)	86 °C
Molecular Weight	154.300 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	153.994 Da
Monoisotopic Mass	153.994 Da
Topological Polar Surface Area	75.900 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	28.400
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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