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6-Ethynyl-4,4-dimethylthiochroman - 98%, high purity , CAS No.118292-06-1

COA

Grade & Purity:

≥98%

Cas Number: 118292-06-1
Molecular Weight: 202.32
PubChem CID: 10932539
PubChem SID: 504765753

In stock

Item Number

E189926

Grouped product items
SKU	Size	Availability	Price
E189926-100mg	100mg	3	$11.90
E189926-250mg	250mg	3	$19.90
E189926-1g	1g	2	$53.90
E189926-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$204.90
E189926-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$367.90

Basic Description

Synonyms	6-Ethynyl-4,4-dimethylthiochroman \| 118292-06-1 \| 6-ethynyl-4,4-dimethyl-thiochroman \| 4,4-DIMETHYL-6-ETHYNYLTHIOCHROMAN \| 6-ethynyl-4,4-dimethyl-2,3-dihydrothiochromene \| MFCD00902029 \| 2H-1-Benzothiopyran,6-ethynyl-3,4-dihydro-4,4-dimethyl- \| C13H14S \| 2H-1-Benzothiopy
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiochromanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiochromanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thiochromanes
Alternative Parents	1-benzothiopyrans Alkylarylthioethers Thiopyrans Benzenoids Acetylides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Thiochromane - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Alkylarylthioether - Benzenoid - Thiopyran - Acetylide - Thioether - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as thiochromanes. These are organic heterocyclic compounds containing a thiochromane moiety.
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

Pubchem Sid	504765753
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504765753
IUPAC Name	6-ethynyl-4,4-dimethyl-2,3-dihydrothiochromene
INCHI	InChI=1S/C13H14S/c1-4-10-5-6-12-11(9-10)13(2,3)7-8-14-12/h1,5-6,9H,7-8H2,2-3H3
InChIKey	KVHNVHGCQWNGLG-UHFFFAOYSA-N
Smiles	CC1(CCSC2=C1C=C(C=C2)C#C)C
Isomeric SMILES	CC1(CCSC2=C1C=C(C=C2)C#C)C
Molecular Weight	202.32
Reaxy-Rn	11735771
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11735771&ln=

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

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
D1928145	Certificate of Analysis	Jan 11, 2023	E189926
L2212419	Certificate of Analysis	Dec 29, 2022	E189926

Chemical and Physical Properties

Molecular Weight	202.320 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	202.082 Da
Monoisotopic Mass	202.082 Da
Topological Polar Surface Area	25.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	258.000
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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