zinc;bis(dimethylaminomethanone);2-(dithiocarboxyamino)ethylcarbamodithioic acid

C10H20N4O2S4Zn — CID 87197955

IUPACzinc;bis(dimethylaminomethanone);2-(dithiocarboxyamino)ethylcarbamodithioic acid
SMILESCN(C)[C-]=O.CN(C)[C-]=O.S=C(S)NCCNC(=S)S.[Zn+2]
InChIInChI=1S/C4H8N2S4.2C3H6NO.Zn/c7-3(8)5-1-2-6-4(9)10;2*1-4(2)3-5;/h1-2H2,(H2,5,7,8)(H2,6,9,10);2*1-2H3;/q;2*-1;+2
InChIKeyGPOFYXXWTHMQBC-UHFFFAOYSA-N
MW421.95 g/mol
LogP-0.18
Rot. Bonds5

About zinc;bis(dimethylaminomethanone);2-(dithiocarboxyamino)ethylcarbamodithioic acid

zinc;bis(dimethylaminomethanone);2-(dithiocarboxyamino)ethylcarbamodithioic acid (PubChem CID 87197955) has the molecular formula C10H20N4O2S4Zn and a molecular weight of 421.95 g/mol. Its IUPAC name is zinc;bis(dimethylaminomethanone);2-(dithiocarboxyamino)ethylcarbamodithioic acid.

Molecular Properties

Compound Namezinc;bis(dimethylaminomethanone);2-(dithiocarboxyamino)ethylcarbamodithioic acid
PubChem CID87197955
Molecular FormulaC10H20N4O2S4Zn
Molecular Weight421.95 g/mol
Exact Mass419.98
IUPAC Namezinc;bis(dimethylaminomethanone);2-(dithiocarboxyamino)ethylcarbamodithioic acid
SMILESCN(C)[C-]=O.CN(C)[C-]=O.S=C(S)NCCNC(=S)S.[Zn+2]
InChIInChI=1S/C4H8N2S4.2C3H6NO.Zn/c7-3(8)5-1-2-6-4(9)10;2*1-4(2)3-5;/h1-2H2,(H2,5,7,8)(H2,6,9,10);2*1-2H3;/q;2*-1;+2
InChIKeyGPOFYXXWTHMQBC-UHFFFAOYSA-N
XLogP-0.18
TPSA64.68 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;bis(dimethylaminomethanone);2-(dithiocarboxyamino)ethylcarbamodithioic acid?
The IUPAC name of zinc;bis(dimethylaminomethanone);2-(dithiocarboxyamino)ethylcarbamodithioic acid (CID 87197955) is zinc;bis(dimethylaminomethanone);2-(dithiocarboxyamino)ethylcarbamodithioic acid.
What is the SMILES notation for zinc;bis(dimethylaminomethanone);2-(dithiocarboxyamino)ethylcarbamodithioic acid?
The canonical SMILES for zinc;bis(dimethylaminomethanone);2-(dithiocarboxyamino)ethylcarbamodithioic acid is CN(C)[C-]=O.CN(C)[C-]=O.S=C(S)NCCNC(=S)S.[Zn+2].
What is the InChIKey of zinc;bis(dimethylaminomethanone);2-(dithiocarboxyamino)ethylcarbamodithioic acid?
The InChIKey is GPOFYXXWTHMQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S4.2C3H6NO.Zn/c7-3(8)5-1-2-6-4(9)10;2*1-4(2)3-5;/h1-2H2,(H2,5,7,8)(H2,6,9,10);2*1-2H3;/q;2*-1;+2.
What are the key properties of zinc;bis(dimethylaminomethanone);2-(dithiocarboxyamino)ethylcarbamodithioic acid?
zinc;bis(dimethylaminomethanone);2-(dithiocarboxyamino)ethylcarbamodithioic acid has a molecular weight of 421.95 g/mol, XLogP of -0.18, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(dimethylaminomethanone);2-(dithiocarboxyamino)ethylcarbamodithioic acid is sourced from PubChem (CID 87197955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).