bis[(diethylcarbamothioyl)sulfanyl]zinc

• ChemBase ID: 137344
• Molecular Formular: C10H20N2S4Zn
• Molecular Mass: 361.9192
• Monoisotopic Mass: 359.98007465
• SMILES: CCN(CC)C(=S)S[Zn]SC(=S)N(CC)CC
• Canonical SMILES: CCN(C(=S)S[Zn]SC(=S)N(CC)CC)CC
• InChI: InChI=1S/2C5H11NS2.Zn/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2
• InChIKey: RKQOSDAEEGPRER-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(diethylcarbamothioyl)sulfanyl]zinc
• IUPAC Traditional name: bis[(diethylcarbamothioyl)sulfanyl]zinc
• Synonyms: Zinc bis(diethyldithiocarbamate); Zinc diethylcarbamodithioate; Diethyldithiocarbamic acid zinc salt; Zinc diethyldithiocarbamate; 二乙基二硫代氨基甲酸 锌盐; 二乙基二硫代氨基甲酸锌

Database IDs

• CAS Number: 14324-55-1
• EC Number: 238-270-9
• MDL Number: MFCD00064798
• PubChem SID: 24859807; 162231607
• PubChem CID: 548262

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1052
• LogD (pH = 7.4): 3.1052
• Log P: 3.1052
• Molar Refractivity: 88.2352 cm^3
• Polarizability: 37.7108 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178-181 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-36/37/38-43-50/53
• Safety Statements: 24-37-60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H317-H319-H335-H410
• GHS Precautionary statements: P261-P273-P280-P305 + P351 + P338-P501
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 97%
• Linear Formula: [(C2H5)2NCS2]2Zn

DETAILS

Sigma Aldrich - 329703

Packaging
25 g in glass bottle