copper(1+);prop-2-enylcarbamothioylazanide

C4H7CuN2S — CID 175057114

IUPACcopper(1+);prop-2-enylcarbamothioylazanide
SMILESC=CCNC([NH-])=S.[Cu+]
InChIInChI=1S/C4H8N2S.Cu/c1-2-3-6-4(5)7;/h2H,1,3H2,(H3,5,6,7);/q;+1/p-1
InChIKeyXRONZIFLBPMCCY-UHFFFAOYSA-M
MW178.73 g/mol
LogP1.10
Rot. Bonds2

About copper(1+);prop-2-enylcarbamothioylazanide

copper(1+);prop-2-enylcarbamothioylazanide (PubChem CID 175057114) has the molecular formula C4H7CuN2S and a molecular weight of 178.73 g/mol. Its IUPAC name is copper(1+);prop-2-enylcarbamothioylazanide.

Molecular Properties

Compound Namecopper(1+);prop-2-enylcarbamothioylazanide
PubChem CID175057114
Molecular FormulaC4H7CuN2S
Molecular Weight178.73 g/mol
Exact Mass177.96
IUPAC Namecopper(1+);prop-2-enylcarbamothioylazanide
SMILESC=CCNC([NH-])=S.[Cu+]
InChIInChI=1S/C4H8N2S.Cu/c1-2-3-6-4(5)7;/h2H,1,3H2,(H3,5,6,7);/q;+1/p-1
InChIKeyXRONZIFLBPMCCY-UHFFFAOYSA-M
XLogP1.10
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.73
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper(1+);prop-2-enylcarbamothioylazanide?
The IUPAC name of copper(1+);prop-2-enylcarbamothioylazanide (CID 175057114) is copper(1+);prop-2-enylcarbamothioylazanide.
What is the SMILES notation for copper(1+);prop-2-enylcarbamothioylazanide?
The canonical SMILES for copper(1+);prop-2-enylcarbamothioylazanide is C=CCNC([NH-])=S.[Cu+].
What is the InChIKey of copper(1+);prop-2-enylcarbamothioylazanide?
The InChIKey is XRONZIFLBPMCCY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8N2S.Cu/c1-2-3-6-4(5)7;/h2H,1,3H2,(H3,5,6,7);/q;+1/p-1.
What are the key properties of copper(1+);prop-2-enylcarbamothioylazanide?
copper(1+);prop-2-enylcarbamothioylazanide has a molecular weight of 178.73 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);prop-2-enylcarbamothioylazanide is sourced from PubChem (CID 175057114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).