bismuth tris(N,N-dimethylcarbamodithioate)

C9H18BiN3S6 — CID 30557

IUPACbismuth tris(N,N-dimethylcarbamodithioate)
SMILESCN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Bi+3]
InChIInChI=1S/3C3H7NS2.Bi/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3
InChIKeyUSBHFGNOYVOTON-UHFFFAOYSA-K
MW569.65 g/mol
LogP0.76
Rot. Bonds

About bismuth tris(N,N-dimethylcarbamodithioate)

bismuth tris(N,N-dimethylcarbamodithioate) (PubChem CID 30557) has the molecular formula C9H18BiN3S6 and a molecular weight of 569.65 g/mol. Its IUPAC name is bismuth tris(N,N-dimethylcarbamodithioate).

Molecular Properties

Compound Namebismuth tris(N,N-dimethylcarbamodithioate)
PubChem CID30557
Molecular FormulaC9H18BiN3S6
Molecular Weight569.65 g/mol
Exact Mass568.96
IUPAC Namebismuth tris(N,N-dimethylcarbamodithioate)
SMILESCN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Bi+3]
InChIInChI=1S/3C3H7NS2.Bi/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3
InChIKeyUSBHFGNOYVOTON-UHFFFAOYSA-K
XLogP0.76
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.65
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bismuth tris(N,N-dimethylcarbamodithioate)?
The IUPAC name of bismuth tris(N,N-dimethylcarbamodithioate) (CID 30557) is bismuth tris(N,N-dimethylcarbamodithioate).
What is the SMILES notation for bismuth tris(N,N-dimethylcarbamodithioate)?
The canonical SMILES for bismuth tris(N,N-dimethylcarbamodithioate) is CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Bi+3].
What is the InChIKey of bismuth tris(N,N-dimethylcarbamodithioate)?
The InChIKey is USBHFGNOYVOTON-UHFFFAOYSA-K. The full InChI is InChI=1S/3C3H7NS2.Bi/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3.
What are the key properties of bismuth tris(N,N-dimethylcarbamodithioate)?
bismuth tris(N,N-dimethylcarbamodithioate) has a molecular weight of 569.65 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth tris(N,N-dimethylcarbamodithioate) is sourced from PubChem (CID 30557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).