butyl(pentyl)carbamodithioic acid;copper

C10H21CuNS2 — CID 174686574

IUPACbutyl(pentyl)carbamodithioic acid;copper
SMILESCCCCCN(CCCC)C(=S)S.[Cu]
InChIInChI=1S/C10H21NS2.Cu/c1-3-5-7-9-11(10(12)13)8-6-4-2;/h3-9H2,1-2H3,(H,12,13);
InChIKeyFGNHJQFREUZFLY-UHFFFAOYSA-N
MW282.96 g/mol
LogP3.49
Rot. Bonds7

About butyl(pentyl)carbamodithioic acid;copper

butyl(pentyl)carbamodithioic acid;copper (PubChem CID 174686574) has the molecular formula C10H21CuNS2 and a molecular weight of 282.96 g/mol. Its IUPAC name is butyl(pentyl)carbamodithioic acid;copper.

Molecular Properties

Compound Namebutyl(pentyl)carbamodithioic acid;copper
PubChem CID174686574
Molecular FormulaC10H21CuNS2
Molecular Weight282.96 g/mol
Exact Mass282.04
IUPAC Namebutyl(pentyl)carbamodithioic acid;copper
SMILESCCCCCN(CCCC)C(=S)S.[Cu]
InChIInChI=1S/C10H21NS2.Cu/c1-3-5-7-9-11(10(12)13)8-6-4-2;/h3-9H2,1-2H3,(H,12,13);
InChIKeyFGNHJQFREUZFLY-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.96
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

di(hexacosyl)carbamodithioic acid
CID 154512280
dioctylcarbamodithioic acid;hydrate
CID 174703129
dipentylcarbamodithioic acid;sulfur monoxide
CID 158394198
dibutylcarbamodithioic acid;propanenitrile
CID 174759598
butyl-[2-(dithiocarboxyamino)ethyl]carbamodithioic acid
CID 12812902
pentyl(prop-2-enyl)carbamodithioic acid
CID 87918210
octadecyl(prop-2-enyl)carbamodithioic acid
CID 132820438
Bis(dibutyldithiocarbamato-S,S')copper
CID 156614044
butyl-[2-[4-[2-[butyl(dithiocarboxy)amino]ethoxy]phenoxy]ethyl]carbamodithioic acid
CID 102350729
bis(N,N-dipentylcarbamodithioate);zinc
CID 3544047
CID 22164562
CID 22164562
molybdenum;octadecyl(octyl)carbamothioic O-acid
CID 175434115

Frequently Asked Questions

What is the IUPAC name of butyl(pentyl)carbamodithioic acid;copper?
The IUPAC name of butyl(pentyl)carbamodithioic acid;copper (CID 174686574) is butyl(pentyl)carbamodithioic acid;copper.
What is the SMILES notation for butyl(pentyl)carbamodithioic acid;copper?
The canonical SMILES for butyl(pentyl)carbamodithioic acid;copper is CCCCCN(CCCC)C(=S)S.[Cu].
What is the InChIKey of butyl(pentyl)carbamodithioic acid;copper?
The InChIKey is FGNHJQFREUZFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS2.Cu/c1-3-5-7-9-11(10(12)13)8-6-4-2;/h3-9H2,1-2H3,(H,12,13);.
What are the key properties of butyl(pentyl)carbamodithioic acid;copper?
butyl(pentyl)carbamodithioic acid;copper has a molecular weight of 282.96 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(pentyl)carbamodithioic acid;copper is sourced from PubChem (CID 174686574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).