[diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate

C10H20BiIN2S4 — CID 6329123

IUPAC[diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)S[Bi](I)SC(=S)N(CC)CC
InChIInChI=1S/2C5H11NS2.Bi.HI/c2*1-3-6(4-2)5(7)8;;/h2*3-4H2,1-2H3,(H,7,8);;1H/q;;+3;/p-3
InChIKeyZBHKOCQJFCBHIU-UHFFFAOYSA-K
MW632.44 g/mol
LogP4.13
Rot. Bonds6

About [diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate

[diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate (PubChem CID 6329123) has the molecular formula C10H20BiIN2S4 and a molecular weight of 632.44 g/mol. Its IUPAC name is [diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate.

Molecular Properties

Compound Name[diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate
PubChem CID6329123
Molecular FormulaC10H20BiIN2S4
Molecular Weight632.44 g/mol
Exact Mass631.94
IUPAC Name[diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)S[Bi](I)SC(=S)N(CC)CC
InChIInChI=1S/2C5H11NS2.Bi.HI/c2*1-3-6(4-2)5(7)8;;/h2*3-4H2,1-2H3,(H,7,8);;1H/q;;+3;/p-3
InChIKeyZBHKOCQJFCBHIU-UHFFFAOYSA-K
XLogP4.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate?
The IUPAC name of [diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate (CID 6329123) is [diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate.
What is the SMILES notation for [diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate?
The canonical SMILES for [diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate is CCN(CC)C(=S)S[Bi](I)SC(=S)N(CC)CC.
What is the InChIKey of [diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate?
The InChIKey is ZBHKOCQJFCBHIU-UHFFFAOYSA-K. The full InChI is InChI=1S/2C5H11NS2.Bi.HI/c2*1-3-6(4-2)5(7)8;;/h2*3-4H2,1-2H3,(H,7,8);;1H/q;;+3;/p-3.
What are the key properties of [diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate?
[diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate has a molecular weight of 632.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate is sourced from PubChem (CID 6329123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).