copper(1+);N-ethyl-N-phenylcarbamodithioate

C9H10CuNS2 — CID 142768613

IUPACcopper(1+);N-ethyl-N-phenylcarbamodithioate
SMILESCCN(C(=S)[S-])c1ccccc1.[Cu+]
InChIInChI=1S/C9H11NS2.Cu/c1-2-10(9(11)12)8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyZXTNTHPDLNOZGQ-UHFFFAOYSA-M
MW259.87 g/mol
LogP2.34
Rot. Bonds2

About copper(1+);N-ethyl-N-phenylcarbamodithioate

copper(1+);N-ethyl-N-phenylcarbamodithioate (PubChem CID 142768613) has the molecular formula C9H10CuNS2 and a molecular weight of 259.87 g/mol. Its IUPAC name is copper(1+);N-ethyl-N-phenylcarbamodithioate.

Molecular Properties

Compound Namecopper(1+);N-ethyl-N-phenylcarbamodithioate
PubChem CID142768613
Molecular FormulaC9H10CuNS2
Molecular Weight259.87 g/mol
Exact Mass258.96
IUPAC Namecopper(1+);N-ethyl-N-phenylcarbamodithioate
SMILESCCN(C(=S)[S-])c1ccccc1.[Cu+]
InChIInChI=1S/C9H11NS2.Cu/c1-2-10(9(11)12)8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyZXTNTHPDLNOZGQ-UHFFFAOYSA-M
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.87
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl(phenyl)carbamothioyl]sulfanylethyl N-ethyl-N-phenylcarbamodithioate
CID 102275422
1,3-diethyl-1,3-diphenylselenourea
CID 134917239
propyl N-ethyl-N-phenylcarbamodithioate
CID 71384750
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
1-ethyl-3-(2-methylpropyl)-1-phenylthiourea
CID 115570335
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142

Frequently Asked Questions

What is the IUPAC name of copper(1+);N-ethyl-N-phenylcarbamodithioate?
The IUPAC name of copper(1+);N-ethyl-N-phenylcarbamodithioate (CID 142768613) is copper(1+);N-ethyl-N-phenylcarbamodithioate.
What is the SMILES notation for copper(1+);N-ethyl-N-phenylcarbamodithioate?
The canonical SMILES for copper(1+);N-ethyl-N-phenylcarbamodithioate is CCN(C(=S)[S-])c1ccccc1.[Cu+].
What is the InChIKey of copper(1+);N-ethyl-N-phenylcarbamodithioate?
The InChIKey is ZXTNTHPDLNOZGQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NS2.Cu/c1-2-10(9(11)12)8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H,11,12);/q;+1/p-1.
What are the key properties of copper(1+);N-ethyl-N-phenylcarbamodithioate?
copper(1+);N-ethyl-N-phenylcarbamodithioate has a molecular weight of 259.87 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);N-ethyl-N-phenylcarbamodithioate is sourced from PubChem (CID 142768613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).