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4-(Methylthio)phenyl isocyanate - 97%, high purity , CAS No.1632-84-4

COA

Grade & Purity:

≥97%

Cas Number: 1632-84-4
Molecular Weight: 165.21
PubChem CID: 2733316

In stock

Item Number

M167730

Grouped product items
SKU	Size	Availability	Price
M167730-1g	1g	1	$86.90
M167730-5g	5g	1	$344.90
M167730-25g	25g	1	$1,374.90

Discover 4-(Methylthio)phenyl isocyanate by Aladdin Scientific in 97% for only $86.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	W-200153 \| 1-isocyanato-4-(methylthio)benzene \| p-methylthiophenylisocyanate \| 4-(Methylthio)phenyl isocyanate \| EN300-146743 \| 4-(METHYLTHIO)PHENylisoCYANATE \| GEO-01965 \| STK504627 \| SCHEMBL546217 \| 4-(Methylthio)phenyl isocyanate, 97% \| FT-0619089 \| p-
Specifications & Purity	≥97%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Aryl thioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Aryl thioethers
Intermediate Tree Nodes	Not available
Direct Parent	Aryl thioethers
Alternative Parents	Thiophenol ethers Alkylarylthioethers Benzene and substituted derivatives Isocyanates Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aryl thioether - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Isocyanate - Sulfenyl compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
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-isocyanato-4-methylsulfanylbenzene
INCHI	InChI=1S/C8H7NOS/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3
InChIKey	QNKQBDZVEKZFBN-UHFFFAOYSA-N
Smiles	CSC1=CC=C(C=C1)N=C=O
Isomeric SMILES	CSC1=CC=C(C=C1)N=C=O
Molecular Weight	165.21
Reaxy-Rn	1936612
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1936612&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.

5 results found

Lot Number	Certificate Type	Date	Item
E2526058	Certificate of Analysis	May 15, 2025	M167730
H2212444	Certificate of Analysis	May 07, 2025	M167730
H2212446	Certificate of Analysis	May 07, 2025	M167730
H2212499	Certificate of Analysis	May 07, 2025	M167730
L2411176	Certificate of Analysis	Jun 14, 2022	M167730

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Flash Point(°C)	104°C
Boil Point(°C)	104-105°/0.5mmHg
Molecular Weight	165.210 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	165.025 Da
Monoisotopic Mass	165.025 Da
Topological Polar Surface Area	54.700 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	157.000
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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