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S-Propyl propane-1-sulfonothioate - ≥98%, high purity , CAS No.1113-13-9

COA

Grade & Purity:

≥98%

Cas Number: 1113-13-9
Molecular Weight: 182.3
PubChem CID: 529388

In stock

Item Number

S697947

Grouped product items
SKU	Size	Availability	Price
S697947-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$165.90
S697947-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$345.90
S697947-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,151.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Sulfonyls

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Sulfonyls
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Sulfonyls
Alternative Parents	Sulfenyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Sulfonyl - Sulfenyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as sulfonyls. These are compounds containing the sulfonyl group, with the general structure RS(=O)2R' ( R,R' must not be H).
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-propylsulfonylsulfanylpropane
INCHI	InChI=1S/C6H14O2S2/c1-3-5-9-10(7,8)6-4-2/h3-6H2,1-2H3
InChIKey	OUIASSQOLAEHIR-UHFFFAOYSA-N
Smiles	CCCSS(=O)(=O)CCC
Isomeric SMILES	CCCSS(=O)(=O)CCC
PubChem CID	529388
Molecular Weight	182.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	182.300 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	182.044 Da
Monoisotopic Mass	182.044 Da
Topological Polar Surface Area	67.800 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	155.000
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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S-Propyl propane-1-sulfonothioate - ≥98%, high purity , CAS No.1113-13-9

Basic Description