1-{[(piperidine-1-carbothioyldisulfanyl)disulfanyl]methanethioyl}piperidine

• ChemBase ID: 109968
• Molecular Formular: C12H20N2S6
• Molecular Mass: 384.6906
• Monoisotopic Mass: 383.99507465
• SMILES: S=C(SSSSC(=S)N1CCCCC1)N1CCCCC1
• Canonical SMILES: S=C(N1CCCCC1)SSSSC(=S)N1CCCCC1
• InChI: InChI=1S/C12H20N2S6/c15-11(13-7-3-1-4-8-13)17-19-20-18-12(16)14-9-5-2-6-10-14/h1-10H2
• InChIKey: VNDRMZTXEFFQDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[(piperidine-1-carbothioyldisulfanyl)disulfanyl]methanethioyl}piperidine
• IUPAC Traditional name: 1-{[(piperidine-1-carbothioyldisulfanyl)disulfanyl]methanethioyl}piperidine; thiuram MT
• Synonyms: DIPENTAMETHYLENETHIURAM TETRASULFIDE; Tetrasulfanediylbis(piperidin-1-ylmethanethione)

Database IDs

• CAS Number: 120-54-7
• EC Number: 204-406-0
• MDL Number: MFCD00047474
• PubChem SID: 162095604
• PubChem CID: 61049

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.6220565
• LogD (pH = 7.4): 5.6220565
• Log P: 5.6220565
• Molar Refractivity: 105.0364 cm^3
• Polarizability: 42.972874 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: TN4221000

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 05213244

MP Biomedicals Rare Chemical collection