Bis(dibutyldithiocarbamato-S,S')copper

C18H36CuN2S4-2 — CID 156614044

IUPAC—
SMILESCCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Cu]
InChIInChI=1S/2C9H19NS2.Cu/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/p-2
InChIKeyHSCSVHCMPBGXEM-UHFFFAOYSA-L
MW472.31 g/mol
LogP5.44
Rot. Bonds12

About Bis(dibutyldithiocarbamato-S,S')copper

Bis(dibutyldithiocarbamato-S,S')copper (PubChem CID 156614044) has the molecular formula C18H36CuN2S4-2 and a molecular weight of 472.31 g/mol.

Molecular Properties

Compound NameBis(dibutyldithiocarbamato-S,S')copper
PubChem CID156614044
Molecular FormulaC18H36CuN2S4-2
Molecular Weight472.31 g/mol
Exact Mass471.11
IUPAC Name—
SMILESCCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Cu]
InChIInChI=1S/2C9H19NS2.Cu/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/p-2
InChIKeyHSCSVHCMPBGXEM-UHFFFAOYSA-L
XLogP5.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.31
LogP ≤ 55.44
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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Related Compounds

bis(N,N-dibutylcarbamodithioate);nickel(2+)
CID 4523766
cerium(3+);tris(N,N-dibutylcarbamodithioate)
CID 141342374
N,N-dibutylcarbamodithioate;ethane;nickel(2+)
CID 162055102
CID 22164562
CID 22164562
bis(N,N-dipentylcarbamodithioate);zinc
CID 3544047
tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)
CID 139855060
tetrakis(N-dodecyl-N-hexadecylcarbamodithioate);molybdenum(4+)
CID 141332595
hexakis(N,N-dihexylcarbamodithioate);molybdenum
CID 18926193
sodium N,N-dihexylcarbamodithioate
CID 23671974
hexakis(N,N-di(tridecyl)carbamodithioate);molybdenum;sulfur monoxide
CID 19708628
tetrakis(N,N-didecylcarbamodithioate);tris(oxomolybdenum(4+));tetrasulfide
CID 22989162
zinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate)
CID 162392913

Frequently Asked Questions

What is the IUPAC name of Bis(dibutyldithiocarbamato-S,S')copper?
The IUPAC name of Bis(dibutyldithiocarbamato-S,S')copper (CID 156614044) is not available.
What is the SMILES notation for Bis(dibutyldithiocarbamato-S,S')copper?
The canonical SMILES for Bis(dibutyldithiocarbamato-S,S')copper is CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Cu].
What is the InChIKey of Bis(dibutyldithiocarbamato-S,S')copper?
The InChIKey is HSCSVHCMPBGXEM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H19NS2.Cu/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/p-2.
What are the key properties of Bis(dibutyldithiocarbamato-S,S')copper?
Bis(dibutyldithiocarbamato-S,S')copper has a molecular weight of 472.31 g/mol, XLogP of 5.44, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(dibutyldithiocarbamato-S,S')copper is sourced from PubChem (CID 156614044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).