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3-sulfanylbutanoic acid - ≥99%, high purity , CAS No.26473-49-4

COA

Grade & Purity:

≥99%

Cas Number: 26473-49-4
Molecular Weight: 120.17
MDL number: MFCD03005232
PubChem CID: 9964084

In stock

Item Number

S770981

Grouped product items
SKU	Size	Availability	Price
S770981-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,340.90
S770981-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,270.90
S770981-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$11,526.90

Basic Description

Specifications & Purity	≥99%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Thia fatty acids
Alternative Parents	Monocarboxylic acids and derivatives Carboxylic acids Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Thia fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkylthiol - 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 thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the 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

INCHI	InChI=1S/C4H8O2S/c1-3(7)2-4(5)6/h3,7H,2H2,1H3,(H,5,6)
InChIKey	RQPNXPWEGVCPCX-UHFFFAOYSA-N
Smiles	CC(CC(=O)O)S
Isomeric SMILES	CC(CC(=O)O)S
Molecular Weight	120.17

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	120.170 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	120.025 Da
Monoisotopic Mass	120.025 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	72.100
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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