carbamothioylsulfanyl pyrrolidine-1-carbodithioate

C6H10N2S4 — CID 10376943

IUPACcarbamothioylsulfanyl pyrrolidine-1-carbodithioate
SMILESNC(=S)SSC(=S)N1CCCC1
InChIInChI=1S/C6H10N2S4/c7-5(9)11-12-6(10)8-3-1-2-4-8/h1-4H2,(H2,7,9)
InChIKeyOEKBIUFBGNJWGH-UHFFFAOYSA-N
MW238.43 g/mol
LogP1.99
Rot. Bonds

About carbamothioylsulfanyl pyrrolidine-1-carbodithioate

carbamothioylsulfanyl pyrrolidine-1-carbodithioate (PubChem CID 10376943) has the molecular formula C6H10N2S4 and a molecular weight of 238.43 g/mol. Its IUPAC name is carbamothioylsulfanyl pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Namecarbamothioylsulfanyl pyrrolidine-1-carbodithioate
PubChem CID10376943
Molecular FormulaC6H10N2S4
Molecular Weight238.43 g/mol
Exact Mass237.97
IUPAC Namecarbamothioylsulfanyl pyrrolidine-1-carbodithioate
SMILESNC(=S)SSC(=S)N1CCCC1
InChIInChI=1S/C6H10N2S4/c7-5(9)11-12-6(10)8-3-1-2-4-8/h1-4H2,(H2,7,9)
InChIKeyOEKBIUFBGNJWGH-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl pyrrolidine-1-carbodithioate
CID 14287987
10-(pyrrolidine-1-carbothioyldisulfanyl)decylsulfanyl pyrrolidine-1-carbodithioate
CID 54460594
2-hydroxyethylsulfanyl pyrrolidine-1-carbodithioate
CID 122384090
tert-butylsulfanyl piperidine-1-carbodithioate
CID 581801
[(E)-4-(azepane-1-carbothioyldisulfanyl)but-2-enyl]sulfanyl azepane-1-carbodithioate
CID 87611237
[3,5-bis(piperidine-1-carbothioyldisulfanyl)phenyl]sulfanyl piperidine-1-carbodithioate
CID 54513679
CID 140773790
CID 140773790
(2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate
CID 853106
(3-oxo-3-pyrrolidin-1-ylpropyl) carbamodithioate
CID 5138290
[iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate
CID 6329119
cyanomethyl piperidine-1-carbodithioate
CID 14788666
ethyl 3-(piperidine-1-carbothioylsulfanyl)propanoate
CID 15906003

Frequently Asked Questions

What is the IUPAC name of carbamothioylsulfanyl pyrrolidine-1-carbodithioate?
The IUPAC name of carbamothioylsulfanyl pyrrolidine-1-carbodithioate (CID 10376943) is carbamothioylsulfanyl pyrrolidine-1-carbodithioate.
What is the SMILES notation for carbamothioylsulfanyl pyrrolidine-1-carbodithioate?
The canonical SMILES for carbamothioylsulfanyl pyrrolidine-1-carbodithioate is NC(=S)SSC(=S)N1CCCC1.
What is the InChIKey of carbamothioylsulfanyl pyrrolidine-1-carbodithioate?
The InChIKey is OEKBIUFBGNJWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S4/c7-5(9)11-12-6(10)8-3-1-2-4-8/h1-4H2,(H2,7,9).
What are the key properties of carbamothioylsulfanyl pyrrolidine-1-carbodithioate?
carbamothioylsulfanyl pyrrolidine-1-carbodithioate has a molecular weight of 238.43 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioylsulfanyl pyrrolidine-1-carbodithioate is sourced from PubChem (CID 10376943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).