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3-Methoxypropyl isothiocyanate - 98%, high purity , CAS No.17702-11-3

COA

Grade & Purity:

≥98%

Cas Number: 17702-11-3
Molecular Weight: 131.2
MDL number: MFCD00022063
PubChem CID: 140274
PubChem SID: 504757203

In stock

Item Number

M300049

Grouped product items
SKU	Size	Availability	Price
M300049-1g	1g	2	$62.90
M300049-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$206.90
M300049-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$679.90

Basic Description

Synonyms	3-Methoxypropyl isothiocyanate \| 17702-11-3 \| 1-Isothiocyanato-3-methoxypropane \| Propane, 1-isothiocyanato-3-methoxy- \| 3-methoxypropylisothiocyanate \| Propane,1-isothiocyanato-3-methoxy- \| SCHEMBL841893 \| DTXSID50170242 \| 3-Methoxy-n-propyl isothiocyanate \| 1-isothiocyan
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Isothiocyanates

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Isothiocyanates
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isothiocyanates
Alternative Parents	Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S.
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	504757203
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504757203
IUPAC Name	1-isothiocyanato-3-methoxypropane
INCHI	InChI=1S/C5H9NOS/c1-7-4-2-3-6-5-8/h2-4H2,1H3
InChIKey	UKVFWFDXYBLOLU-UHFFFAOYSA-N
Smiles	COCCCN=C=S
Isomeric SMILES	COCCCN=C=S
Molecular Weight	131.2
Reaxy-Rn	1751281
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1751281&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.

2 results found

Lot Number	Certificate Type	Date	Item
H2106512	Certificate of Analysis	May 11, 2024	M300049
H2106513	Certificate of Analysis	May 09, 2024	M300049

Chemical and Physical Properties

Molecular Weight	131.200 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	131.04 Da
Monoisotopic Mass	131.04 Da
Topological Polar Surface Area	53.700 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	88.400
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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