N,N-dibutyl[(dibutylcarbamothioyl)disulfanyl]carbothioamide

• ChemBase ID: 111446
• Molecular Formular: C18H36N2S4
• Molecular Mass: 408.75184
• Monoisotopic Mass: 408.17613316
• SMILES: CCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC
• Canonical SMILES: CCCCN(C(=S)SSC(=S)N(CCCC)CCCC)CCCC
• InChI: InChI=1S/C18H36N2S4/c1-5-9-13-19(14-10-6-2)17(21)23-24-18(22)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
• InChIKey: PGAXJQVAHDTGBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dibutyl[(dibutylcarbamothioyl)disulfanyl]carbothioamide
• IUPAC Traditional name: N,N-dibutyl(dibutylcarbamothioyl)disulfanylcarbothioamide
• Synonyms: TETRABUTYLTHIURAM DISULFIDE; Tetrabutylthiuram disulfide; Zinc ionophore I; Tetra-n-butylthiuram disulfide; 二硫化四丁基秋兰姆; 锌离子载体 I

Database IDs

• CAS Number: 1634-02-2
• EC Number: 216-652-6
• MDL Number: MFCD00027191
• Beilstein Number: 1715575
• PubChem SID: 162096855; 24890311
• PubChem CID: 15412

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.028123
• LogD (pH = 7.4): 8.028123
• Log P: 8.028123
• Molar Refractivity: 124.7352 cm^3
• Polarizability: 49.30865 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 1.07 g/ml

Safety Information

• Storage Warning: Air Sensitive
• RTECS: JO0800000
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 98%
• Grade: Selectophore™
• Quality: function tested
• Empirical Formula (Hill Notation): C18H36N2S4

DETAILS

MP Biomedicals - 05219201

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 96491

General description
Visit our Sensor Applications portal to learn more.
Other Notes
Neutral carrier for a zinc-selective electrode1
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH