4-carbamothioylsulfanylbutyl carbamodithioate;copper

C6H12CuN2S4 — CID 87342350

IUPAC4-carbamothioylsulfanylbutyl carbamodithioate;copper
SMILESNC(=S)SCCCCSC(N)=S.[Cu]
InChIInChI=1S/C6H12N2S4.Cu/c7-5(9)11-3-1-2-4-12-6(8)10;/h1-4H2,(H2,7,9)(H2,8,10);
InChIKeyZLLSPSQFPDVFAZ-UHFFFAOYSA-N
MW303.99 g/mol
LogP1.72
Rot. Bonds5

About 4-carbamothioylsulfanylbutyl carbamodithioate;copper

4-carbamothioylsulfanylbutyl carbamodithioate;copper (PubChem CID 87342350) has the molecular formula C6H12CuN2S4 and a molecular weight of 303.99 g/mol. Its IUPAC name is 4-carbamothioylsulfanylbutyl carbamodithioate;copper.

Molecular Properties

Compound Name4-carbamothioylsulfanylbutyl carbamodithioate;copper
PubChem CID87342350
Molecular FormulaC6H12CuN2S4
Molecular Weight303.99 g/mol
Exact Mass302.92
IUPAC Name4-carbamothioylsulfanylbutyl carbamodithioate;copper
SMILESNC(=S)SCCCCSC(N)=S.[Cu]
InChIInChI=1S/C6H12N2S4.Cu/c7-5(9)11-3-1-2-4-12-6(8)10;/h1-4H2,(H2,7,9)(H2,8,10);
InChIKeyZLLSPSQFPDVFAZ-UHFFFAOYSA-N
XLogP1.72
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.99
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptyl carbamodithioate
CID 3738854
copper;2-hydroxyethyl carbamodithioate
CID 160591055
CID 159121999
CID 159121999
sodium;hydride;octyl carbamodithioate
CID 175140209
2-carbamothioylsulfanylethyl carbamodithioate;ethene
CID 157163681
CID 158814138
CID 158814138
methanol;propyl carbamodithioate
CID 174248667
4-(2-hydroxyphenyl)butyl carbamodithioate
CID 174875461
magnesium;hydride;propyl carbamodithioate
CID 174927157
3-oxopropyl carbamodithioate
CID 55290322
4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate
CID 54603017
4-[(E)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate;dihydroiodide
CID 131882361

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioylsulfanylbutyl carbamodithioate;copper?
The IUPAC name of 4-carbamothioylsulfanylbutyl carbamodithioate;copper (CID 87342350) is 4-carbamothioylsulfanylbutyl carbamodithioate;copper.
What is the SMILES notation for 4-carbamothioylsulfanylbutyl carbamodithioate;copper?
The canonical SMILES for 4-carbamothioylsulfanylbutyl carbamodithioate;copper is NC(=S)SCCCCSC(N)=S.[Cu].
What is the InChIKey of 4-carbamothioylsulfanylbutyl carbamodithioate;copper?
The InChIKey is ZLLSPSQFPDVFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S4.Cu/c7-5(9)11-3-1-2-4-12-6(8)10;/h1-4H2,(H2,7,9)(H2,8,10);.
What are the key properties of 4-carbamothioylsulfanylbutyl carbamodithioate;copper?
4-carbamothioylsulfanylbutyl carbamodithioate;copper has a molecular weight of 303.99 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioylsulfanylbutyl carbamodithioate;copper is sourced from PubChem (CID 87342350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).