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S-Methyl 3-methylbutanethioate - ≥95%, high purity , CAS No.23747-45-7

COA

Grade & Purity:

≥95%

Cas Number: 23747-45-7
Molecular Weight: 132.22
PubChem CID: 90246

In stock

Item Number

S735859

Grouped product items
SKU	Size	Availability	Price
S735859-1g	1g	1	$10.90
S735859-5g	5g	1	$33.90
S735859-25g	25g	1	$99.90

View related series

Sulfur containing compounds (986)

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Desiccated
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 Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acyl thioesters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acyl thioesters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acyl thioesters
Alternative Parents	Thioesters Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acyl thioester - Carbothioic s-ester - Thiocarboxylic acid ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as fatty acyl thioesters. These are thioester derivatives of a fatty acid with the general formula RC(=O)SR', where R is the fatty acyl chain.
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	S-methyl 3-methylbutanethioate
INCHI	InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
InChIKey	MPLWTJZAFOVXKP-UHFFFAOYSA-N
Smiles	CC(C)CC(=O)SC
Isomeric SMILES	CC(C)CC(=O)SC
PubChem CID	90246
Molecular Weight	132.22

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
H2406441	Certificate of Analysis	Jul 22, 2024	S735859
H2406442	Certificate of Analysis	Jul 22, 2024	S735859
H2406443	Certificate of Analysis	Jul 22, 2024	S735859
H2406456	Certificate of Analysis	Jul 22, 2024	S735859
H2406457	Certificate of Analysis	Jul 22, 2024	S735859
H2406440	Certificate of Analysis	Jul 22, 2024	S735859

Chemical and Physical Properties

Molecular Weight	132.230 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	132.061 Da
Monoisotopic Mass	132.061 Da
Topological Polar Surface Area	42.400 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	78.600
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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