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2- Mercapto-N-Methyllbenzamide - 95%, high purity , CAS No.20054-45-9

COA

Grade & Purity:

≥95%

Cas Number: 20054-45-9
Molecular Weight: 167.231
MDL number: MFCD00136334
PubChem CID: 4525601
PubChem SID: 504763043

In stock

Item Number

M121843

Grouped product items
SKU	Size	Availability	Price
M121843-250mg	250mg	3	$9.90
M121843-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$14.90
M121843-5g	5g	7	$29.90
M121843-25g	25g	4	$97.90

Basic Description

Synonyms	2-MERCAPTO-N-METHYLBENZAMIDE \| 20054-45-9 \| N-methyl-2-sulfanylbenzamide \| Benzamide, 2-mercapto-N-methyl- \| 2-mercapto-N-methyl-Benzamide \| MFCD00136334 \| N-methylthiosalicylamide \| SCHEMBL2829218 \| DTXSID10403947 \| VIFOAZNEQRHREM-UHFFFAOYSA-N \| BCP11862 \| AKOS000196042 \| AC-26
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Sulfanylbenzoic acids and derivatives
        Level6 O-sulfanylbenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Sulfanylbenzoic acids and derivatives
Direct Parent	O-sulfanylbenzoic acids and derivatives
Alternative Parents	Benzamides Thiophenols Benzoyl derivatives Secondary carboxylic acid amides Thiols Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	O-sulfanylbenzoic acid or derivatives - Benzamide - Benzoyl - Thiophenol - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Arylthiol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
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	504763043
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763043
IUPAC Name	N-methyl-2-sulfanylbenzamide
INCHI	InChI=1S/C8H9NOS/c1-9-8(10)6-4-2-3-5-7(6)11/h2-5,11H,1H3,(H,9,10)
InChIKey	VIFOAZNEQRHREM-UHFFFAOYSA-N
Smiles	CNC(=O)C1=CC=CC=C1S
Isomeric SMILES	CNC(=O)C1=CC=CC=C1S
Molecular Weight	167.231
Reaxy-Rn	2690027
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2690027&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
G2228009	Certificate of Analysis	Jun 08, 2022	M121843
G2227620	Certificate of Analysis	Jun 08, 2022	M121843
G2228011	Certificate of Analysis	Jun 08, 2022	M121843
G2228010	Certificate of Analysis	Jun 08, 2022	M121843

Chemical and Physical Properties

Molecular Weight	167.230 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	167.04 Da
Monoisotopic Mass	167.04 Da
Topological Polar Surface Area	30.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149.000
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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