[iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate

C10H16BiIN2S4 — CID 6329119

IUPAC[iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate
SMILESS=C(S[Bi](I)SC(=S)N1CCCC1)N1CCCC1
InChIInChI=1S/2C5H9NS2.Bi.HI/c2*7-5(8)6-3-1-2-4-6;;/h2*1-4H2,(H,7,8);;1H/q;;+3;/p-3
InChIKeyQKTOEXJFJBAZPT-UHFFFAOYSA-K
MW628.40 g/mol
LogP3.63
Rot. Bonds2

About [iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate

[iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate (PubChem CID 6329119) has the molecular formula C10H16BiIN2S4 and a molecular weight of 628.40 g/mol. Its IUPAC name is [iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Name[iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate
PubChem CID6329119
Molecular FormulaC10H16BiIN2S4
Molecular Weight628.40 g/mol
Exact Mass627.90
IUPAC Name[iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate
SMILESS=C(S[Bi](I)SC(=S)N1CCCC1)N1CCCC1
InChIInChI=1S/2C5H9NS2.Bi.HI/c2*7-5(8)6-3-1-2-4-6;;/h2*1-4H2,(H,7,8);;1H/q;;+3;/p-3
InChIKeyQKTOEXJFJBAZPT-UHFFFAOYSA-K
XLogP3.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.40
LogP ≤ 53.63
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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Related Compounds

CID 140773790
CID 140773790
ethyl pyrrolidine-1-carbodithioate
CID 14287987
carbamothioylsulfanyl pyrrolidine-1-carbodithioate
CID 10376943
acetamido piperidine-1-carbodithioate
CID 15152681
2-hydroxyethylsulfanyl pyrrolidine-1-carbodithioate
CID 122384090
10-(pyrrolidine-1-carbothioyldisulfanyl)decylsulfanyl pyrrolidine-1-carbodithioate
CID 54460594
tert-butylsulfanyl piperidine-1-carbodithioate
CID 581801
[(E)-4-(azepane-1-carbothioyldisulfanyl)but-2-enyl]sulfanyl azepane-1-carbodithioate
CID 87611237
pyrrolidine-1-carbodithioate;pyrrolidin-1-ium
CID 71677616
[3,5-bis(piperidine-1-carbothioyldisulfanyl)phenyl]sulfanyl piperidine-1-carbodithioate
CID 54513679
cyanomethyl piperidine-1-carbodithioate
CID 14788666
sodium pyrrolidine-1-carbodithioic acid
CID 54605882

Frequently Asked Questions

What is the IUPAC name of [iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate?
The IUPAC name of [iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate (CID 6329119) is [iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate.
What is the SMILES notation for [iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate?
The canonical SMILES for [iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate is S=C(S[Bi](I)SC(=S)N1CCCC1)N1CCCC1.
What is the InChIKey of [iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate?
The InChIKey is QKTOEXJFJBAZPT-UHFFFAOYSA-K. The full InChI is InChI=1S/2C5H9NS2.Bi.HI/c2*7-5(8)6-3-1-2-4-6;;/h2*1-4H2,(H,7,8);;1H/q;;+3;/p-3.
What are the key properties of [iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate?
[iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate has a molecular weight of 628.40 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate is sourced from PubChem (CID 6329119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).