N,N-dimethyl(tert-butyldisulfanyl)carbothioamide

• ChemBase ID: 108814
• Molecular Formular: C7H15NS3
• Molecular Mass: 209.3957
• Monoisotopic Mass: 209.03666249
• SMILES: CN(C)C(=S)SSC(C)(C)C
• Canonical SMILES: S=C(N(C)C)SSC(C)(C)C
• InChI: InChI=1S/C7H15NS3/c1-7(2,3)11-10-6(9)8(4)5/h1-5H3
• InChIKey: RZRJACCZWZTYJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl(tert-butyldisulfanyl)carbothioamide
• IUPAC Traditional name: N,N-dimethyl(tert-butyldisulfanyl)carbothioamide
• Synonyms: tert-BUTYLSULFENYL DIMETHYL DITHIOCARBAMATE

Database IDs

• PubChem SID: 162106194
• PubChem CID: 72602

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0178783
• LogD (pH = 7.4): 3.0178783
• Log P: 3.0178783
• Molar Refractivity: 61.9162 cm^3
• Polarizability: 24.407694 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05208831

MP Biomedicals Rare Chemical collection