copper bis(N-(diethylamino)carbamothioate)

C10H22CuN4O2S2 — CID 174855196

IUPACcopper bis(N-(diethylamino)carbamothioate)
SMILESCCN(CC)NC(=O)[S-].CCN(CC)NC(=O)[S-].[Cu+2]
InChIInChI=1S/2C5H12N2OS.Cu/c2*1-3-7(4-2)6-5(8)9;/h2*3-4H2,1-2H3,(H2,6,8,9);/q;;+2/p-2
InChIKeyHSTOODONNACBLS-UHFFFAOYSA-L
MW357.99 g/mol
LogP1.00
Rot. Bonds6

About copper bis(N-(diethylamino)carbamothioate)

copper bis(N-(diethylamino)carbamothioate) (PubChem CID 174855196) has the molecular formula C10H22CuN4O2S2 and a molecular weight of 357.99 g/mol. Its IUPAC name is copper bis(N-(diethylamino)carbamothioate).

Molecular Properties

Compound Namecopper bis(N-(diethylamino)carbamothioate)
PubChem CID174855196
Molecular FormulaC10H22CuN4O2S2
Molecular Weight357.99 g/mol
Exact Mass357.05
IUPAC Namecopper bis(N-(diethylamino)carbamothioate)
SMILESCCN(CC)NC(=O)[S-].CCN(CC)NC(=O)[S-].[Cu+2]
InChIInChI=1S/2C5H12N2OS.Cu/c2*1-3-7(4-2)6-5(8)9;/h2*3-4H2,1-2H3,(H2,6,8,9);/q;;+2/p-2
InChIKeyHSTOODONNACBLS-UHFFFAOYSA-L
XLogP1.00
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.99
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

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CID 174663209
bis(N-(dimethylamino)carbamothioate);nickel
CID 4519464
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CID 150323112
N'-ethyl-2-methyl-N'-propylprop-2-enehydrazide
CID 150112536
N,N-diethylethanamine;hydroxycarbamic acid
CID 174953323
2-(2,2-diethylhydrazinyl)propanoic acid
CID 175089566
diethylaminosulfamic acid
CID 87969127
[ethyl-(sulfinatoamino)amino]ethane
CID 57171552
sodium;N-(diethylamino)carbamodithioate;2,4-dimethyl-1H-pyrrole
CID 175077259
methyl N-chloro-N-ethylcarbamate
CID 21281537
N',N'-bis(2-hydroxyethyl)butanehydrazide
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N-ethyl-N-methylethanamine;methanesulfonic acid
CID 121235737

Frequently Asked Questions

What is the IUPAC name of copper bis(N-(diethylamino)carbamothioate)?
The IUPAC name of copper bis(N-(diethylamino)carbamothioate) (CID 174855196) is copper bis(N-(diethylamino)carbamothioate).
What is the SMILES notation for copper bis(N-(diethylamino)carbamothioate)?
The canonical SMILES for copper bis(N-(diethylamino)carbamothioate) is CCN(CC)NC(=O)[S-].CCN(CC)NC(=O)[S-].[Cu+2].
What is the InChIKey of copper bis(N-(diethylamino)carbamothioate)?
The InChIKey is HSTOODONNACBLS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H12N2OS.Cu/c2*1-3-7(4-2)6-5(8)9;/h2*3-4H2,1-2H3,(H2,6,8,9);/q;;+2/p-2.
What are the key properties of copper bis(N-(diethylamino)carbamothioate)?
copper bis(N-(diethylamino)carbamothioate) has a molecular weight of 357.99 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(N-(diethylamino)carbamothioate) is sourced from PubChem (CID 174855196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).