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Sodium 3-(benzothiazol-2-ylthio)-1-propanesulfonate - technical,≥90%, high purity , CAS No.49625-94-7

COA

Grade & Purity:

technical grade

≥90%

Cas Number: 49625-94-7
Molecular Weight: 311.38
EC Number: 256-401-8
MDL number: MFCD00043131
PubChem CID: 5073964
PubChem SID: 504763210

In stock

Item Number

S121969

Grouped product items
SKU	Size	Availability	Price	Qty
S121969-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$95.90
S121969-250g	250g	3	$215.90

Basic Description

Synonyms	ZPS \| Sodium 3-(benzothiazol-2-ylthio)-1-propanesulfonate \| AC-32133 \| SCHEMBL565101 \| FT-0639873 \| sodium;3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonate \| 1-Propanesulfonic acid, 3-(2-benzothiazolylthio)-, sodium salt \| A827777 \| C10H10NNaO3S3 \| W-
Specifications & Purity	technical grade, ≥90%
Shipped In	Normal
Grade	technical grade
Product Description	Sodium 3-(benzothiazol-2-ylthio)-1-propanesulfonate may be used in the chemical synthesis studies.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzothiazoles
Alternative Parents	Alkylarylthioethers Benzenoids Thiazoles Sulfonyls Organosulfonic acids Heteroaromatic compounds Alkanesulfonic acids Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-benzothiazole - Aryl thioether - Alkylarylthioether - Benzenoid - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid - Sulfonyl - Thiazole - Alkanesulfonic acid - Azacycle - Organic alkali metal salt - Thioether - Sulfenyl compound - Organic sodium salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Organonitrogen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
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	504763210
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763210
IUPAC Name	sodium;3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonate
INCHI	InChI=1S/C10H11NO3S3.Na/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10;/h1-2,4-5H,3,6-7H2,(H,12,13,14);/q;+1/p-1
InChIKey	VRKNGZAPJYUNSN-UHFFFAOYSA-M
Smiles	C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)[O-].[Na+]
Isomeric SMILES	C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)[O-].[Na+]
WGK Germany	3
PubChem CID	5073964
Molecular Weight	311.38

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

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Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
G2003156	Certificate of Analysis	Apr 07, 2024	S121969
H2231669	Certificate of Analysis	Jun 28, 2022	S121969
A2411057	Certificate of Analysis	Jun 28, 2022	S121969
H2310053	Certificate of Analysis	Jun 28, 2022	S121969
L2427178	Certificate of Analysis	Jun 28, 2022	S121969
H2231689	Certificate of Analysis	Jun 28, 2022	S121969
H2231690	Certificate of Analysis	Jun 28, 2022	S121969

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Flash Point(°F)	230 °F
Flash Point(°C)	110 °C
Melt Point(°C)	≥320°C
Molecular Weight	311.400 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	310.972 Da
Monoisotopic Mass	310.972 Da
Topological Polar Surface Area	132.000 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	347.000
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	2

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