tris[(dimethylcarbamothioyl)sulfanyl]bismuthane

• ChemBase ID: 108447
• Molecular Formular: C9H18BiN3S6
• Molecular Mass: 569.62972
• Monoisotopic Mass: 568.96289659
• SMILES: CN(C)C(=S)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C
• Canonical SMILES: CN(C(=S)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C)C
• InChI: InChI=1S/3C3H7NS2.Bi/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3
• InChIKey: USBHFGNOYVOTON-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: tris[(dimethylcarbamothioyl)sulfanyl]bismuthane
• IUPAC Traditional name: tris[(dimethylcarbamothioyl)sulfanyl]bismuthane
• Synonyms: BISMUTH-N,N-DIMETHYLDITHIOCARBAMATE

Database IDs

• CAS Number: 21260-46-8
• PubChem SID: 162094687
• PubChem CID: 560564

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8778
• LogD (pH = 7.4): 3.8778
• Log P: 3.8778
• Molar Refractivity: 103.8612 cm^3
• Polarizability: 47.688007 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05207394

MP Biomedicals Rare Chemical collection