bis(N,N-bis(2-methylpropyl)carbamodithioate);cobalt(2+)

C18H36CoN2S4 — CID 14251991

IUPACbis(N,N-bis(2-methylpropyl)carbamodithioate);cobalt(2+)
SMILESCC(C)CN(CC(C)C)C(=S)[S-].CC(C)CN(CC(C)C)C(=S)[S-].[Co+2]
InChIInChI=1S/2C9H19NS2.Co/c2*1-7(2)5-10(9(11)12)6-8(3)4;/h2*7-8H,5-6H2,1-4H3,(H,11,12);/q;;+2/p-2
InChIKeyRGTRJYTZAFRGTI-UHFFFAOYSA-L
MW467.70 g/mol
LogP4.86
Rot. Bonds8

About bis(N,N-bis(2-methylpropyl)carbamodithioate);cobalt(2+)

bis(N,N-bis(2-methylpropyl)carbamodithioate);cobalt(2+) (PubChem CID 14251991) has the molecular formula C18H36CoN2S4 and a molecular weight of 467.70 g/mol. Its IUPAC name is bis(N,N-bis(2-methylpropyl)carbamodithioate);cobalt(2+).

Molecular Properties

Compound Namebis(N,N-bis(2-methylpropyl)carbamodithioate);cobalt(2+)
PubChem CID14251991
Molecular FormulaC18H36CoN2S4
Molecular Weight467.70 g/mol
Exact Mass467.11
IUPAC Namebis(N,N-bis(2-methylpropyl)carbamodithioate);cobalt(2+)
SMILESCC(C)CN(CC(C)C)C(=S)[S-].CC(C)CN(CC(C)C)C(=S)[S-].[Co+2]
InChIInChI=1S/2C9H19NS2.Co/c2*1-7(2)5-10(9(11)12)6-8(3)4;/h2*7-8H,5-6H2,1-4H3,(H,11,12);/q;;+2/p-2
InChIKeyRGTRJYTZAFRGTI-UHFFFAOYSA-L
XLogP4.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.70
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(N,N-bis(2-methylpropyl)carbamodithioate);cobalt(2+)?
The IUPAC name of bis(N,N-bis(2-methylpropyl)carbamodithioate);cobalt(2+) (CID 14251991) is bis(N,N-bis(2-methylpropyl)carbamodithioate);cobalt(2+).
What is the SMILES notation for bis(N,N-bis(2-methylpropyl)carbamodithioate);cobalt(2+)?
The canonical SMILES for bis(N,N-bis(2-methylpropyl)carbamodithioate);cobalt(2+) is CC(C)CN(CC(C)C)C(=S)[S-].CC(C)CN(CC(C)C)C(=S)[S-].[Co+2].
What is the InChIKey of bis(N,N-bis(2-methylpropyl)carbamodithioate);cobalt(2+)?
The InChIKey is RGTRJYTZAFRGTI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H19NS2.Co/c2*1-7(2)5-10(9(11)12)6-8(3)4;/h2*7-8H,5-6H2,1-4H3,(H,11,12);/q;;+2/p-2.
What are the key properties of bis(N,N-bis(2-methylpropyl)carbamodithioate);cobalt(2+)?
bis(N,N-bis(2-methylpropyl)carbamodithioate);cobalt(2+) has a molecular weight of 467.70 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-bis(2-methylpropyl)carbamodithioate);cobalt(2+) is sourced from PubChem (CID 14251991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).