piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate

C12H20N2S4 — CID 7188

IUPACpiperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate
SMILESS=C(SSC(=S)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C12H20N2S4/c15-11(13-7-3-1-4-8-13)17-18-12(16)14-9-5-2-6-10-14/h1-10H2
InChIKeyKNBRWWCHBRQLNY-UHFFFAOYSA-N
MW320.57 g/mol
LogP3.91
Rot. Bonds

About piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate

piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate (PubChem CID 7188) has the molecular formula C12H20N2S4 and a molecular weight of 320.57 g/mol. Its IUPAC name is piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate.

Molecular Properties

Compound Namepiperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate
PubChem CID7188
Molecular FormulaC12H20N2S4
Molecular Weight320.57 g/mol
Exact Mass320.05
IUPAC Namepiperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate
SMILESS=C(SSC(=S)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C12H20N2S4/c15-11(13-7-3-1-4-8-13)17-18-12(16)14-9-5-2-6-10-14/h1-10H2
InChIKeyKNBRWWCHBRQLNY-UHFFFAOYSA-N
XLogP3.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 53.91
H-Bond Donors ≤ 50
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

Dipentamethylenethiuram tetrasulfide
CID 61049
Dipentamethylenethiuram hexasulfide
CID 70414
Zinc, bis(1-piperidinecarbodithioato-kappaS1,kappaS1')-, (T-4)-
CID 159704
Piperidine-1-dithiocarboxylic acid, anhydrosulphide
CID 69762
Cadmium bis(piperidine-1-carbodithioate)
CID 84725
(4-Methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate
CID 44550621
(2,6-Dimethylpiperidine-1-carbothioyl)sulfanyl 2,6-dimethylpiperidine-1-carbodithioate
CID 44550622
Piperidinium 1-piperidinecarbodithioate
CID 2820349
Nickel bis(piperidine-1-carbodithioate)
CID 6100354
Lead bis(piperidine-1-carbodithioate)
CID 6451765
Vulkacit P
CID 80396
Copper bis(piperidine-1-carbodithioate)
CID 84847

Frequently Asked Questions

What is the IUPAC name of piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate?
The IUPAC name of piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate (CID 7188) is piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate.
What is the SMILES notation for piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate?
The canonical SMILES for piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate is S=C(SSC(=S)N1CCCCC1)N1CCCCC1.
What is the InChIKey of piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate?
The InChIKey is KNBRWWCHBRQLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S4/c15-11(13-7-3-1-4-8-13)17-18-12(16)14-9-5-2-6-10-14/h1-10H2.
What are the key properties of piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate?
piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate has a molecular weight of 320.57 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate is sourced from PubChem (CID 7188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).