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4,4'-Dithiobisbenzoic Acid - 95%, high purity , CAS No.1155-51-7

COA

Grade & Purity:

≥95%

Cas Number: 1155-51-7
Molecular Weight: 306.36
PubChem CID: 308480
PubChem SID: 504758421

In stock

Item Number

D401613

Grouped product items
SKU	Size	Availability	Price
D401613-250mg	250mg	2	$52.90
D401613-1g	1g	2	$129.90
D401613-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$389.90

Basic Description

Synonyms	4,4'-Dithiobisbenzoic acid \| 1155-51-7 \| 4-[(4-carboxyphenyl)disulfanyl]benzoic acid \| 4,4'-disulfanediyldibenzoic acid \| 4,4'-Dithiodibenzoic acid \| NSC210281 \| NSC-210281 \| 4,4'-Dithiobisbenzoic Acid, Technical Grade \| Benzoic acid, 4,4'-dithiobis- \| BIS(4-CARBOXYPHENYL)
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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 P-sulfanylbenzoic acids and derivatives
        Level7 P-sulfanylbenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Sulfanylbenzoic acids and derivatives - P-sulfanylbenzoic acids and derivatives
Direct Parent	P-sulfanylbenzoic acids
Alternative Parents	Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Organic disulfides Sulfenyl compounds Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-sulfanylbenzoic acid - Benzoic acid - Benzoyl - Dicarboxylic acid or derivatives - Organic disulfide - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, 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

Mechanisms of Action

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

Names and Identifiers

Pubchem Sid	504758421
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758421
IUPAC Name	4-[(4-carboxyphenyl)disulfanyl]benzoic acid
INCHI	InChI=1S/C14H10O4S2/c15-13(16)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKey	GAMSSMZJKUMFEY-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C(=O)O)SSC2=CC=C(C=C2)C(=O)O
Isomeric SMILES	C1=CC(=CC=C1C(=O)O)SSC2=CC=C(C=C2)C(=O)O
Molecular Weight	306.36
Reaxy-Rn	2144137
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2144137&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
L2305215	Certificate of Analysis	Nov 25, 2023	D401613
L2305216	Certificate of Analysis	Nov 25, 2023	D401613
L2305219	Certificate of Analysis	Nov 25, 2023	D401613
L2305222	Certificate of Analysis	Nov 25, 2023	D401613
L2305223	Certificate of Analysis	Nov 25, 2023	D401613

Chemical and Physical Properties

Solubility	DMF (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
Molecular Weight	306.400 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	306.002 Da
Monoisotopic Mass	306.002 Da
Topological Polar Surface Area	125.000 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	311.000
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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