piperidine-1-carbothioylsulfanide

• ChemBase ID: 108573
• Molecular Formular: C6H10NS2-
• Molecular Mass: 160.2803
• Monoisotopic Mass: 160.02546633
• SMILES: [S-]C(=S)N1CCCCC1
• Canonical SMILES: [S-]C(=S)N1CCCCC1
• InChI: InChI=1S/C6H11NS2/c8-6(9)7-4-2-1-3-5-7/h1-5H2,(H,8,9)/p-1
• InChIKey: FAIPQCJQEAURIB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-1-carbothioylsulfanide
• IUPAC Traditional name: piperidine-1-carbothioylsulfanide
• Synonyms: CYCLOPENTAMETHYLENEDITHIOCARBAMATE, COPPER SALT

Database IDs

• PubChem SID: 162106174
• PubChem CID: 1241305

CALCULATED PROPERTIES

• Acid pKa: 1.9998499
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0029957
• LogD (pH = 7.4): 1.0012513
• Log P: 2.144211
• Molar Refractivity: 48.4027 cm^3
• Polarizability: 19.016254 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207920

MP Biomedicals Rare Chemical collection