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Heptyl Methyl Sulfide - >97.0%(GC), high purity , CAS No.20291-61-6

COA

Grade & Purity:

≥97%(GC)

Cas Number: 20291-61-6
Molecular Weight: 146.29
MDL number: MFCD00027314
PubChem CID: 44824
PubChem SID: 504753634

In stock

Item Number

H157103

Grouped product items
SKU	Size	Availability	Price
H157103-1ml	1ml	3	$19.90
H157103-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$74.90
H157103-10ml	10ml	2	$114.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	FJDWJOQOEZRIDJ-UHFFFAOYSA-N \| 2-Thianonane \| W6Y753210I \| DTXSID70213286 \| D90918 \| FT-0637972 \| HEPTANETHIOL, METHYL- \| Heptyl methyl sulfide \| 1-(Methylsulfanyl)heptane # \| MFCD00027314 \| 1-(Methylsulfanyl)heptane \| EINECS 264-506-5 \| Q27292411 \| Methyl
Specifications & Purity	≥97%(GC)
Shipped In	Normal

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

Pubchem Sid	504753634
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753634
IUPAC Name	1-methylsulfanylheptane
INCHI	InChI=1S/C8H18S/c1-3-4-5-6-7-8-9-2/h3-8H2,1-2H3
InChIKey	FJDWJOQOEZRIDJ-UHFFFAOYSA-N
Smiles	CCCCCCCSC
Isomeric SMILES	CCCCCCCSC
Molecular Weight	146.29
Reaxy-Rn	1733100
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733100&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
D2321838	Certificate of Analysis	Mar 20, 2023	H157103
D2321916	Certificate of Analysis	Mar 20, 2023	H157103
D2321942	Certificate of Analysis	Mar 20, 2023	H157103
D2321933	Certificate of Analysis	Mar 20, 2023	H157103

Chemical and Physical Properties

Refractive Index	1.46
Boil Point(°C)	195°C(lit.)
Molecular Weight	146.300 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	146.113 Da
Monoisotopic Mass	146.113 Da
Topological Polar Surface Area	25.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	43.800
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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