cobalt(2+);bis((N-cyano-C-sulfaniumylcarbonimidoyl)sulfanium);tetrapropylazanium

C16H36CoN5S4+7 — CID 54606891

IUPACcobalt(2+);bis((N-cyano-C-sulfaniumylcarbonimidoyl)sulfanium);tetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC.N#CN=C([SH2+])[SH2+].N#CN=C([SH2+])[SH2+].[Co+2]
InChIInChI=1S/C12H28N.2C2H2N2S2.Co/c1-5-9-13(10-6-2,11-7-3)12-8-4;2*3-1-4-2(5)6;/h5-12H2,1-4H3;2*(H2,4,5,6);/q+1;;;+2/p+4
InChIKeyKDMCXMSTJKDUGC-UHFFFAOYSA-R
MW485.70 g/mol
LogP1.13
Rot. Bonds8

About cobalt(2+);bis((N-cyano-C-sulfaniumylcarbonimidoyl)sulfanium);tetrapropylazanium

cobalt(2+);bis((N-cyano-C-sulfaniumylcarbonimidoyl)sulfanium);tetrapropylazanium (PubChem CID 54606891) has the molecular formula C16H36CoN5S4+7 and a molecular weight of 485.70 g/mol. Its IUPAC name is cobalt(2+);bis((N-cyano-C-sulfaniumylcarbonimidoyl)sulfanium);tetrapropylazanium.

Molecular Properties

Compound Namecobalt(2+);bis((N-cyano-C-sulfaniumylcarbonimidoyl)sulfanium);tetrapropylazanium
PubChem CID54606891
Molecular FormulaC16H36CoN5S4+7
Molecular Weight485.70 g/mol
Exact Mass485.11
IUPAC Namecobalt(2+);bis((N-cyano-C-sulfaniumylcarbonimidoyl)sulfanium);tetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC.N#CN=C([SH2+])[SH2+].N#CN=C([SH2+])[SH2+].[Co+2]
InChIInChI=1S/C12H28N.2C2H2N2S2.Co/c1-5-9-13(10-6-2,11-7-3)12-8-4;2*3-1-4-2(5)6;/h5-12H2,1-4H3;2*(H2,4,5,6);/q+1;;;+2/p+4
InChIKeyKDMCXMSTJKDUGC-UHFFFAOYSA-R
XLogP1.13
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.70
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tetrapropylazanium thiocyanate
CID 19875508
manganese;oxygen(2-);tetrapropylazanium
CID 159090995
tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium)
CID 173136039
antimony(3+);tetrapropylazanium
CID 18954503
2-[bis(sulfaniumyl)methylidene]propanedinitrilium;2-[bis(sulfanyl)methylidene]propanedinitrile;2-[bis(sulfanyl)methylidene]propanedinitrilium;chromium(3+);tetrapropylazanium
CID 171377006
tetrapropylazanium;bromide;hydrobromide
CID 87689277
copper;bis((2,2-dicyano-1-sulfaniumylethenyl)sulfanium);tetrabutylazanium
CID 54606880
boric acid;tetrapropylazanium;bromide
CID 175148155
azanium;tetrapropylazanium;diacetate
CID 161363764
cyanic acid;tetrapentylazanium
CID 88689750
tripropyl-[4-(tripropylazaniumyl)butyl]azanium
CID 86186380
2-hydroxyethyl(tripropyl)azanium bromide
CID 129218113

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis((N-cyano-C-sulfaniumylcarbonimidoyl)sulfanium);tetrapropylazanium?
The IUPAC name of cobalt(2+);bis((N-cyano-C-sulfaniumylcarbonimidoyl)sulfanium);tetrapropylazanium (CID 54606891) is cobalt(2+);bis((N-cyano-C-sulfaniumylcarbonimidoyl)sulfanium);tetrapropylazanium.
What is the SMILES notation for cobalt(2+);bis((N-cyano-C-sulfaniumylcarbonimidoyl)sulfanium);tetrapropylazanium?
The canonical SMILES for cobalt(2+);bis((N-cyano-C-sulfaniumylcarbonimidoyl)sulfanium);tetrapropylazanium is CCC[N+](CCC)(CCC)CCC.N#CN=C([SH2+])[SH2+].N#CN=C([SH2+])[SH2+].[Co+2].
What is the InChIKey of cobalt(2+);bis((N-cyano-C-sulfaniumylcarbonimidoyl)sulfanium);tetrapropylazanium?
The InChIKey is KDMCXMSTJKDUGC-UHFFFAOYSA-R. The full InChI is InChI=1S/C12H28N.2C2H2N2S2.Co/c1-5-9-13(10-6-2,11-7-3)12-8-4;2*3-1-4-2(5)6;/h5-12H2,1-4H3;2*(H2,4,5,6);/q+1;;;+2/p+4.
What are the key properties of cobalt(2+);bis((N-cyano-C-sulfaniumylcarbonimidoyl)sulfanium);tetrapropylazanium?
cobalt(2+);bis((N-cyano-C-sulfaniumylcarbonimidoyl)sulfanium);tetrapropylazanium has a molecular weight of 485.70 g/mol, XLogP of 1.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis((N-cyano-C-sulfaniumylcarbonimidoyl)sulfanium);tetrapropylazanium is sourced from PubChem (CID 54606891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).