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2，2'-Disulfanediyldibenzamide - ≥97%, high purity , CAS No.2527-57-3

COA

Grade & Purity:

≥97%

Cas Number: 2527-57-3
Molecular Weight: 304.4
PubChem CID: 72552

In stock

Item Number

D694408

Grouped product items
SKU	Size	Availability	Price
D694408-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$61.90
D694408-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$165.90
D694408-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$578.90

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 Benzoyl derivatives Primary carboxylic acid amides Organic disulfides Sulfenyl compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	O-sulfanylbenzoic acid or derivatives - Benzamide - Benzoyl - Carboxamide group - Primary carboxylic acid amide - Organic disulfide - Carboxylic acid derivative - Sulfenyl compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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

Associated Targets(non-human)

Mycobacterium kansasii (6484 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mycobacterium tuberculosis (203094 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-[(2-carbamoylphenyl)disulfanyl]benzamide
INCHI	InChI=1S/C14H12N2O2S2/c15-13(17)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
InChIKey	OEEHSSKRJOGQMP-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C(=O)N)SSC2=CC=CC=C2C(=O)N
Isomeric SMILES	C1=CC=C(C(=C1)C(=O)N)SSC2=CC=CC=C2C(=O)N
PubChem CID	72552
Molecular Weight	304.4

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	304.400 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	304.034 Da
Monoisotopic Mass	304.034 Da
Topological Polar Surface Area	137.000 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	331.000
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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