Sodium dimethyldithiocarbamate hydrate - ≥98% , CAS No.207233-95-2

CAS: 207233-95-2 Cat. No.: S106280 Molecular Weight: 143.21 (anhydrous basis) Beilstein Registry Number: 3569024 EC Number: 629-646-7 PubChem CID: 16218430

GRADE & PURITY ≥98%

Synonyms

N,N-Dimethyldithiocarbamate sodium hydrate | SCHEMBL450923 | Sodium dimethylcarbamodithioate--water (1/1/1) | Sodium dimethyldithiocarbamate hydrate, purum, >=97.0% (NT), 1-2 mol/mol water | SodiumDimethyldithiocarbamatexhydrate | Sodium dimethyldithiocar

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

N, N-Dimethyldithiocarbamate sodium hydrate | SCHEMBL450923 | Sodium dimethylcarbamodithioate--water (1/1/1) | Sodium dimethyldithiocarbamate hydrate, purum, >=97.0% (NT), 1-2 mol/mol water | SodiumDimethyldithiocarbamatexhydrate | Sodium dimethyldithiocar

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504768342
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768342
• Canonical Smiles: CN(C)C(=S)[S-].O.[Na+]
• IUPAC Name: sodium;N,N-dimethylcarbamodithioate;hydrate
• InChIKey: RJCVAPZBRKHUSV-UHFFFAOYSA-M
• INCHI: 1S/C3H7NS2.Na.H2O/c1-4(2)3(5)6;;/h1-2H3,(H,5,6);;1H2/q;+1;/p-1
• Isomeric SMILES: CN(C)C(=S)[S-].O.[Na+]
• WGK Germany: 3
• RTECS: FD3500000
• Alternate CAS: 128-04-1
• PubChem CID: 16218430
• Molecular Weight: 143.21 (anhydrous basis)
• Beilstein: 3569024

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic alkali metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic alkali metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic alkali metal salts
• Alternative Parents: Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic alkali metal salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organosulfur compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic alkali metal salts. These are organic salts of an alkali metal. The alkali metal atom is usually in its ionic form.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 120-122°C
• Molecular Weight: 161.230 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 160.995 Da
• Monoisotopic Mass: 160.995 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 64.000
• 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: 3

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