copper;dipropylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid

C11H23CuN3S6 — CID 157112774

IUPACcopper;dipropylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid
SMILESCCCN(CCC)C(=S)S.S=C(S)NCCNC(=S)S.[Cu]
InChIInChI=1S/C7H15NS2.C4H8N2S4.Cu/c1-3-5-8(6-4-2)7(9)10;7-3(8)5-1-2-6-4(9)10;/h3-6H2,1-2H3,(H,9,10);1-2H2,(H2,5,7,8)(H2,6,9,10);
InChIKeyAHAVLKYXNDEAMD-UHFFFAOYSA-N
MW453.27 g/mol
LogP2.92
Rot. Bonds7

About copper;dipropylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid

copper;dipropylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid (PubChem CID 157112774) has the molecular formula C11H23CuN3S6 and a molecular weight of 453.27 g/mol. Its IUPAC name is copper;dipropylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid.

Molecular Properties

Compound Namecopper;dipropylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid
PubChem CID157112774
Molecular FormulaC11H23CuN3S6
Molecular Weight453.27 g/mol
Exact Mass451.95
IUPAC Namecopper;dipropylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid
SMILESCCCN(CCC)C(=S)S.S=C(S)NCCNC(=S)S.[Cu]
InChIInChI=1S/C7H15NS2.C4H8N2S4.Cu/c1-3-5-8(6-4-2)7(9)10;7-3(8)5-1-2-6-4(9)10;/h3-6H2,1-2H3,(H,9,10);1-2H2,(H2,5,7,8)(H2,6,9,10);
InChIKeyAHAVLKYXNDEAMD-UHFFFAOYSA-N
XLogP2.92
TPSA27.30 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.27
LogP ≤ 52.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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

butyl-[2-(dithiocarboxyamino)ethyl]carbamodithioic acid
CID 12812902
CID 159965791
CID 159965791
barium(2+);N,N-dipropylpropan-1-amine;4-(dithiocarboxyamino)butylcarbamodithioic acid;propylcarbamodithioic acid
CID 172833768
butyl(pentyl)carbamodithioic acid;copper
CID 174686574
magnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride
CID 174341714
zinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium
CID 86735534
2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane
CID 158207882
2-(methylamino)ethylcarbamodithioic acid
CID 90890805
di(hexacosyl)carbamodithioic acid
CID 154512280
dithiocarboxy-[2-[2-(dithiocarboxyamino)ethylamino]ethyl]carbamodithioic acid
CID 91120722
2-(dithiocarboxyamino)ethylcarbamodithioic acid;formonitrile
CID 174889042
dioctylcarbamodithioic acid;hydrate
CID 174703129

Frequently Asked Questions

What is the IUPAC name of copper;dipropylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid?
The IUPAC name of copper;dipropylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid (CID 157112774) is copper;dipropylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid.
What is the SMILES notation for copper;dipropylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid?
The canonical SMILES for copper;dipropylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid is CCCN(CCC)C(=S)S.S=C(S)NCCNC(=S)S.[Cu].
What is the InChIKey of copper;dipropylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid?
The InChIKey is AHAVLKYXNDEAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS2.C4H8N2S4.Cu/c1-3-5-8(6-4-2)7(9)10;7-3(8)5-1-2-6-4(9)10;/h3-6H2,1-2H3,(H,9,10);1-2H2,(H2,5,7,8)(H2,6,9,10);.
What are the key properties of copper;dipropylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid?
copper;dipropylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid has a molecular weight of 453.27 g/mol, XLogP of 2.92, 7 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;dipropylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid is sourced from PubChem (CID 157112774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).