cobalt;bis(piperidin-1-ide);diisothiocyanate

C12H20CoN4S2-4 — CID 54610742

IUPACcobalt;bis(piperidin-1-ide);diisothiocyanate
SMILESC1CC[N-]CC1.C1CC[N-]CC1.[Co].[N-]=C=S.[N-]=C=S
InChIInChI=1S/2C5H10N.2CNS.Co/c2*1-2-4-6-5-3-1;2*2-1-3;/h2*1-5H2;;;/q4*-1;
InChIKeyFDEIXKRUEZLOAO-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.40
Rot. Bonds

About cobalt;bis(piperidin-1-ide);diisothiocyanate

cobalt;bis(piperidin-1-ide);diisothiocyanate (PubChem CID 54610742) has the molecular formula C12H20CoN4S2-4 and a molecular weight of 343.39 g/mol. Its IUPAC name is cobalt;bis(piperidin-1-ide);diisothiocyanate.

Molecular Properties

Compound Namecobalt;bis(piperidin-1-ide);diisothiocyanate
PubChem CID54610742
Molecular FormulaC12H20CoN4S2-4
Molecular Weight343.39 g/mol
Exact Mass343.05
IUPAC Namecobalt;bis(piperidin-1-ide);diisothiocyanate
SMILESC1CC[N-]CC1.C1CC[N-]CC1.[Co].[N-]=C=S.[N-]=C=S
InChIInChI=1S/2C5H10N.2CNS.Co/c2*1-2-4-6-5-3-1;2*2-1-3;/h2*1-5H2;;;/q4*-1;
InChIKeyFDEIXKRUEZLOAO-UHFFFAOYSA-N
XLogP4.40
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

lithium azanidacycloheptane
CID 11105324
iron(3+);piperidin-1-ide
CID 150983339
iron(4+);tetrakis(piperidin-1-ide)
CID 54611926
molybdenum(2+);piperidin-1-ide;pyrrolidin-1-ide
CID 151025303
azanidacycloheptane;tungsten
CID 156681038
carbanide;piperidin-1-ide;titanium(3+)
CID 20687678
zinc;tetrakis(piperidin-1-ide);thiocyanic acid
CID 54605103
bis(piperidin-1-ide);trichlororhodium
CID 54604493
difluorozirconium(2+);bis(piperidin-1-ide)
CID 173243334
sodium;cobalt;isothiocyanate
CID 87658497
nickel(2+);1,4,8,11-tetrazanidacyclopentadecane
CID 50896977
carbon monoxide;chromium(6+);pyrrolidin-1-ide
CID 4210612

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(piperidin-1-ide);diisothiocyanate?
The IUPAC name of cobalt;bis(piperidin-1-ide);diisothiocyanate (CID 54610742) is cobalt;bis(piperidin-1-ide);diisothiocyanate.
What is the SMILES notation for cobalt;bis(piperidin-1-ide);diisothiocyanate?
The canonical SMILES for cobalt;bis(piperidin-1-ide);diisothiocyanate is C1CC[N-]CC1.C1CC[N-]CC1.[Co].[N-]=C=S.[N-]=C=S.
What is the InChIKey of cobalt;bis(piperidin-1-ide);diisothiocyanate?
The InChIKey is FDEIXKRUEZLOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10N.2CNS.Co/c2*1-2-4-6-5-3-1;2*2-1-3;/h2*1-5H2;;;/q4*-1;.
What are the key properties of cobalt;bis(piperidin-1-ide);diisothiocyanate?
cobalt;bis(piperidin-1-ide);diisothiocyanate has a molecular weight of 343.39 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(piperidin-1-ide);diisothiocyanate is sourced from PubChem (CID 54610742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).