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methoxycarbonyl isothiocyanate - ≥98%, high purity , CAS No.35266-49-0

COA

Grade & Purity:

≥98%

Cas Number: 35266-49-0
PubChem CID: 552246

In stock

Item Number

M770214

Grouped product items
SKU	Size	Availability	Price
M770214-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$350.90
M770214-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$971.90
M770214-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,652.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Isothiocyanates
    - Subclass Isothiocyanate acids

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Isothiocyanates
Subclass	Isothiocyanate acids
Intermediate Tree Nodes	Not available
Direct Parent	Isothiocyanate acids
Alternative Parents	Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Isothiocyanate acid - Carbonic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as isothiocyanate acids. These are acidic derivatives of isothiocyanates with the general formula RC(=O)N=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

IUPAC Name	methyl N-(sulfanylidenemethylidene)carbamate
INCHI	InChI=1S/C3H3NO2S/c1-6-3(5)4-2-7/h1H3
InChIKey	LBFAAYMITJMZOC-UHFFFAOYSA-N
Smiles	COC(=O)N=C=S
Isomeric SMILES	COC(=O)N=C=S
Alternate CAS	35266-49-0
PubChem CID	552246

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	117.130 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	116.988 Da
Monoisotopic Mass	116.988 Da
Topological Polar Surface Area	70.800 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	116.000
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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