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1,5-Dithiacyclooctan-3-ol - technical grade, 90%, high purity , CAS No.86944-00-5

COA

Grade & Purity:

technical grade

≥90%

Cas Number: 86944-00-5
Molecular Weight: 164.29
MDL number: MFCD00010123
PubChem CID: 854501

In stock

Item Number

D477037

Grouped product items
SKU	Size	Availability	Price	Qty
D477037-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$178.90

Basic Description

Synonyms	SCHEMBL756745 \| 1,5-dithiacyclooctane-3-ol \| WUMSAPPXLGVSSD-UHFFFAOYSA-N \| DTXSID40357585 \| 1,5-Dithiocan-3-ol \| 1,5-Dithiacyclooctan-3-ol, technical grade, 90% \| 1,5-Dithiacyclooctan-3-ol \| 3-hydroxy-1,5-dithiacyclooctane \| AKOS015913368
Specifications & Purity	technical grade, ≥90%
Grade	technical grade
Product Description	Description 1,5-Dithiacyclooctan-3-ol forms thioether complexes with lead (II).

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Secondary alcohols
Alternative Parents	Organoheterocyclic compounds Dialkylthioethers Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Secondary alcohol - Organoheterocyclic compound - Dialkylthioether - Thioether - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
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	1,5-dithiocan-3-ol
INCHI	InChI=1S/C6H12OS2/c7-6-4-8-2-1-3-9-5-6/h6-7H,1-5H2
InChIKey	WUMSAPPXLGVSSD-UHFFFAOYSA-N
Smiles	C1CSCC(CSC1)O
Isomeric SMILES	C1CSCC(CSC1)O
WGK Germany	3
Molecular Weight	164.29
Reaxy-Rn	4363250
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4363250&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Molecular Weight	164.300 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	164.033 Da
Monoisotopic Mass	164.033 Da
Topological Polar Surface Area	70.800 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	69.500
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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