Sodium dibenzyldithiocarbamate

• Catalog Number: ACM55310468-1
• Product Name: Sodium dibenzyldithiocarbamate
• CAS: 55310-46-8
• Category: Heterocyclic Organic Compound
• Synonyms: Dibenzyldithiocarbamic acid sodium salt
• IUPAC Name: Sodium;N,N-dibenzylcarbamodithioate
• Molecular Weight: 295.4
• Molecular Formula: C15H14NNaS2
• Canonical SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].[Na+]
• InChI: 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
• InChI Key: MYCPTMLDBVIIES-UHFFFAOYSA-M
• Melting Point: 235 °C
• Complexity: 241
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 295.04653608
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 19
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 295.04653608
• Physical State: Light yellow to yellowish brown liquid
• Rotatable Bond Count: 4
• Safety Description: 22-24/25
• Topological Polar Surface Area: 36.3 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0