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Sodium pyrrolidinedithiocarbamate - 80%, high purity , CAS No.872-71-9

COA

Grade & Purity:

≥80%

Cas Number: 872-71-9
Molecular Weight: 169.24
Beilstein Registry Number: 4028431
EC Number: 212-831-8
MDL number: MFCD00042668
PubChem CID: 3538605
PubChem SID: 488194438

In stock

Item Number

S109602

Grouped product items
SKU	Size	Availability	Price
S109602-250mg	250mg	4	$9.90
S109602-1g	1g	4	$29.90
S109602-5g	5g	2	$89.90
S109602-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$299.90

View related series

Heterocyclic block (497)

Basic Description

Synonyms	Sodium pyrrolidine-1-carbodithioate \| AKOS015955494 \| W-104035 \| 1-Pyrrolidinecarbodithioic Acid Sodium Salt \| sodium;pyrrolidine-1-carbodithioate \| 1-Pyrrolidinedithiocarbonic acid sodium salt \| SCHEMBL5960619 \| Sodium pyrrolidinedithiocarbamate
Specifications & Purity	≥80%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	A complexing agent for heavy metals used for their extraction from aqueous solution

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolidines
Alternative Parents	Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organic sodium salts Hydrocarbon derivatives Organic cations
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrrolidine - Azacycle - Organic alkali metal salt - Organic nitrogen compound - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organonitrogen compound - Organic cation - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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(Human)

CA1 Tclin Carbonic anhydrase 1 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase 2 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA12 Tclin Carbonic anhydrase 12 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA9 Tclin Carbonic anhydrase 9 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

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

CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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

HeLa (62764 Activities)

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

Associated Targets(non-human)

blaZ Beta-lactamase (285 Activities)

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

Escherichia coli (133304 Activities)

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

cynT Carbonic anhydrase 1 (82 Activities)

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

blaNDM-1 Beta-lactamase NDM-1 (246 Activities)

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

CAH2 Carbonic anhydrase 2, isoform A (28 Activities)

Discover Target: CAH2

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

bla(NDM-4) Metallo-beta-lactamase NDM-4 (34 Activities)

Discover Target: bla(NDM-4)

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

Pubchem Sid	488194438
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488194438
IUPAC Name	sodium;pyrrolidine-1-carbodithioate
INCHI	InChI=1S/C5H9NS2.Na/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);/q;+1/p-1
InChIKey	KAPVVZCIKRASLC-UHFFFAOYSA-M
Smiles	C1CCN(C1)C(=S)[S-].[Na+]
Isomeric SMILES	C1CCN(C1)C(=S)[S-].[Na+]
WGK Germany	3
PubChem CID	3538605
Molecular Weight	169.24
Beilstein	4028431

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.

10 results found

Lot Number	Certificate Type	Date	Item
C2531257	Certificate of Analysis	Mar 03, 2025	S109602
C2531259	Certificate of Analysis	Mar 03, 2025	S109602
C2531358	Certificate of Analysis	Mar 03, 2025	S109602
D2304257	Certificate of Analysis	Feb 07, 2023	S109602
D2304315	Certificate of Analysis	Feb 07, 2023	S109602
D2304261	Certificate of Analysis	Feb 07, 2023	S109602
D2304259	Certificate of Analysis	Feb 07, 2023	S109602
D2304260	Certificate of Analysis	Feb 07, 2023	S109602
D2304306	Certificate of Analysis	Feb 07, 2023	S109602
D2304314	Certificate of Analysis	Feb 07, 2023	S109602

Chemical and Physical Properties

Molecular Weight	169.200 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	169 Da
Monoisotopic Mass	169 Da
Topological Polar Surface Area	36.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	101.000
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

Solution Calculators

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