Sodium Dibenzyldithiocarbamate Hydrate - ≥98% , CAS No.55310-46-8

CAS: 55310-46-8 Cat. No.: S133911 Molecular Weight: 295.39 (anhydrous basis) EC Number: 259-587-9 PubChem CID: 4676203

GRADE & PURITY ≥98%

Synonyms

D0156 | Carbamodithioic acid, bis(phenylmethyl)-, sodium salt | SODIUM (DIBENZYLCARBAMOTHIOYL)SULFANIDE | sodium dibenzylcarbamodithioate | SCHEMBL700766 | EINECS 259-587-9 | sodiumdibenzylcarbamodithioate | AKOS016036578 | AS-81534 | D77729 | sodium;N,N-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

D0156 | Carbamodithioic acid, bis(phenylmethyl)-, sodium salt | SODIUM (DIBENZYLCARBAMOTHIOYL)SULFANIDE | sodium dibenzylcarbamodithioate | SCHEMBL700766 | EINECS 259-587-9 | sodiumdibenzylcarbamodithioate | AKOS016036578 | AS-81534 | D77729 | sodium;N, N-

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504763102
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763102
• Canonical Smiles: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].[Na+]
• IUPAC Name: sodium;N,N-dibenzylcarbamodithioate
• InChIKey: MYCPTMLDBVIIES-UHFFFAOYSA-M
• INCHI: 1S/C15H15NS2.Na/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,17,18);/q;+1/p-1
• Isomeric SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].[Na+]
• PubChem CID: 4676203
• Molecular Weight: 295.39 (anhydrous basis)
• Reaxy-Rn: 4620553

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organosulfur compounds Organonitrogen compounds Organic sodium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic alkali metal salt - Organic nitrogen compound - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organonitrogen compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Solubility: Soluble in EtOH
• Molecular Weight: 295.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 295.047 Da
• Monoisotopic Mass: 295.047 Da
• Topological Polar Surface Area: 36.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 241.000
• 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

XLogP3

References

1. Zhiyuan Dai, Yang Yang, Zhiyu Fang, Lei Li, Xiongkai Tang, Shuyuan Wan, Lingfeng Chao, Zhe Liu, Ruihao Chen, Hongqiang Wang.  (2026)  Bifacial carbodithioate-lead chelating for efficient and robust inverted perovskite solar cells.  Science Advances,  12  (1):   [PMID:41477860] [10.1126/sciadv.adz2113]