N,N-dibutylcarbamodithioate;ethane;nickel(2+)

C11H23NNiS2 — CID 162055102

IUPACN,N-dibutylcarbamodithioate;ethane;nickel(2+)
SMILESCCCCN(CCCC)C(=S)[S-].[CH2-]C.[Ni+2]
InChIInChI=1S/C9H19NS2.C2H5.Ni/c1-3-5-7-10(9(11)12)8-6-4-2;1-2;/h3-8H2,1-2H3,(H,11,12);1H2,2H3;/q;-1;+2/p-1
InChIKeyYZBLXAQPCRDABH-UHFFFAOYSA-M
MW292.14 g/mol
LogP3.56
Rot. Bonds6

About N,N-dibutylcarbamodithioate;ethane;nickel(2+)

N,N-dibutylcarbamodithioate;ethane;nickel(2+) (PubChem CID 162055102) has the molecular formula C11H23NNiS2 and a molecular weight of 292.14 g/mol. Its IUPAC name is N,N-dibutylcarbamodithioate;ethane;nickel(2+).

Molecular Properties

Compound NameN,N-dibutylcarbamodithioate;ethane;nickel(2+)
PubChem CID162055102
Molecular FormulaC11H23NNiS2
Molecular Weight292.14 g/mol
Exact Mass291.06
IUPAC NameN,N-dibutylcarbamodithioate;ethane;nickel(2+)
SMILESCCCCN(CCCC)C(=S)[S-].[CH2-]C.[Ni+2]
InChIInChI=1S/C9H19NS2.C2H5.Ni/c1-3-5-7-10(9(11)12)8-6-4-2;1-2;/h3-8H2,1-2H3,(H,11,12);1H2,2H3;/q;-1;+2/p-1
InChIKeyYZBLXAQPCRDABH-UHFFFAOYSA-M
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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
Bis(dibutyldithiocarbamato-S,S')copper
CID 156614044
cerium(3+);tris(N,N-dibutylcarbamodithioate)
CID 141342374
bis(N,N-dipentylcarbamodithioate);zinc
CID 3544047
CID 22164562
CID 22164562
hexakis(N,N-dihexylcarbamodithioate);molybdenum
CID 18926193
tetrakis(N-dodecyl-N-hexadecylcarbamodithioate);molybdenum(4+)
CID 141332595
tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)
CID 139855060
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 N,N-dibutylcarbamodithioate;ethane;nickel(2+)?
The IUPAC name of N,N-dibutylcarbamodithioate;ethane;nickel(2+) (CID 162055102) is N,N-dibutylcarbamodithioate;ethane;nickel(2+).
What is the SMILES notation for N,N-dibutylcarbamodithioate;ethane;nickel(2+)?
The canonical SMILES for N,N-dibutylcarbamodithioate;ethane;nickel(2+) is CCCCN(CCCC)C(=S)[S-].[CH2-]C.[Ni+2].
What is the InChIKey of N,N-dibutylcarbamodithioate;ethane;nickel(2+)?
The InChIKey is YZBLXAQPCRDABH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19NS2.C2H5.Ni/c1-3-5-7-10(9(11)12)8-6-4-2;1-2;/h3-8H2,1-2H3,(H,11,12);1H2,2H3;/q;-1;+2/p-1.
What are the key properties of N,N-dibutylcarbamodithioate;ethane;nickel(2+)?
N,N-dibutylcarbamodithioate;ethane;nickel(2+) has a molecular weight of 292.14 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylcarbamodithioate;ethane;nickel(2+) is sourced from PubChem (CID 162055102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).