bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate

C4H6Cu2N2S4 — CID 87101556

IUPACbis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
SMILESS=C([S-])NCCNC(=S)[S-].[Cu+].[Cu+]
InChIInChI=1S/C4H8N2S4.2Cu/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2
InChIKeyYTBLTBIKPGMVHH-UHFFFAOYSA-L
MW337.47 g/mol
LogP-0.18
Rot. Bonds3

About bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate

bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate (PubChem CID 87101556) has the molecular formula C4H6Cu2N2S4 and a molecular weight of 337.47 g/mol. Its IUPAC name is bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate.

Molecular Properties

Compound Namebis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
PubChem CID87101556
Molecular FormulaC4H6Cu2N2S4
Molecular Weight337.47 g/mol
Exact Mass335.80
IUPAC Namebis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
SMILESS=C([S-])NCCNC(=S)[S-].[Cu+].[Cu+]
InChIInChI=1S/C4H8N2S4.2Cu/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2
InChIKeyYTBLTBIKPGMVHH-UHFFFAOYSA-L
XLogP-0.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 5-0.18
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'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
CID 23447061
disodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
CID 173431312
zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate
CID 12898683
zinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate
CID 15651749
sodium N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]carbamodithioate
CID 90475849
diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate
CID 87867679
potassium N-(2-sulfoethyl)carbamodithioate
CID 158001071
tetrakis(N-hexylcarbamodithioate);molybdenum(4+)
CID 157134437
zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate)
CID 161215587
zinc bis(N-(6-methylheptyl)carbamodithioate)
CID 141144975
sodium N-(2-phenylethyl)carbamodithioate
CID 23697126
N-(2-morpholin-4-ylethyl)carbamodithioate
CID 91929836

Frequently Asked Questions

What is the IUPAC name of bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate?
The IUPAC name of bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate (CID 87101556) is bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate.
What is the SMILES notation for bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate?
The canonical SMILES for bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate is S=C([S-])NCCNC(=S)[S-].[Cu+].[Cu+].
What is the InChIKey of bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate?
The InChIKey is YTBLTBIKPGMVHH-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8N2S4.2Cu/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2.
What are the key properties of bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate?
bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate has a molecular weight of 337.47 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate is sourced from PubChem (CID 87101556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).