copper(1+);1-ethylsulfanyl-3-methanidylideneheptane

C10H19CuS — CID 134980193

IUPACcopper(1+);1-ethylsulfanyl-3-methanidylideneheptane
SMILES[Cu+].[H]/[C-]=C(/CCCC)CCSCC
InChIInChI=1S/C10H19S.Cu/c1-4-6-7-10(3)8-9-11-5-2;/h3H,4-9H2,1-2H3;/q-1;+1
InChIKeyQZYRXAUZDMRUNN-UHFFFAOYSA-N
MW234.87 g/mol
LogP3.68
Rot. Bonds7

About copper(1+);1-ethylsulfanyl-3-methanidylideneheptane

copper(1+);1-ethylsulfanyl-3-methanidylideneheptane (PubChem CID 134980193) has the molecular formula C10H19CuS and a molecular weight of 234.87 g/mol. Its IUPAC name is copper(1+);1-ethylsulfanyl-3-methanidylideneheptane.

Molecular Properties

Compound Namecopper(1+);1-ethylsulfanyl-3-methanidylideneheptane
PubChem CID134980193
Molecular FormulaC10H19CuS
Molecular Weight234.87 g/mol
Exact Mass234.05
IUPAC Namecopper(1+);1-ethylsulfanyl-3-methanidylideneheptane
SMILES[Cu+].[H]/[C-]=C(/CCCC)CCSCC
InChIInChI=1S/C10H19S.Cu/c1-4-6-7-10(3)8-9-11-5-2;/h3H,4-9H2,1-2H3;/q-1;+1
InChIKeyQZYRXAUZDMRUNN-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.87
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Butylsulfanyloct-1-ene
CID 14952207
2-Butan-2-ylsulfanyloct-1-ene
CID 14952208
(1z)-1,2-Bis(t-butylsulfanyl)hex-1-ene
CID 129749346
1,2-Epithio-3-hexyl-3-butene
CID 57702307
2-Methyl-3,4-epithio-1-nonene
CID 57702328
(Z)-2-methyl-1-methylsulfanyloct-1-ene
CID 100956910
1-Methylidene-2-methylsulfanylcyclononane
CID 14529196
1-Methylidene-2-methylsulfanylcyclotridecane
CID 14529197
5-Methylidenethiocane
CID 86120878
2-Propylsulfanyloct-1-ene
CID 102411477
(Z)-2-methyl-1-methylsulfanyldec-1-ene
CID 132505443
(E)-2-methyl-1-propylsulfanyloct-1-ene
CID 132579845

Frequently Asked Questions

What is the IUPAC name of copper(1+);1-ethylsulfanyl-3-methanidylideneheptane?
The IUPAC name of copper(1+);1-ethylsulfanyl-3-methanidylideneheptane (CID 134980193) is copper(1+);1-ethylsulfanyl-3-methanidylideneheptane.
What is the SMILES notation for copper(1+);1-ethylsulfanyl-3-methanidylideneheptane?
The canonical SMILES for copper(1+);1-ethylsulfanyl-3-methanidylideneheptane is [Cu+].[H]/[C-]=C(/CCCC)CCSCC.
What is the InChIKey of copper(1+);1-ethylsulfanyl-3-methanidylideneheptane?
The InChIKey is QZYRXAUZDMRUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19S.Cu/c1-4-6-7-10(3)8-9-11-5-2;/h3H,4-9H2,1-2H3;/q-1;+1.
What are the key properties of copper(1+);1-ethylsulfanyl-3-methanidylideneheptane?
copper(1+);1-ethylsulfanyl-3-methanidylideneheptane has a molecular weight of 234.87 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);1-ethylsulfanyl-3-methanidylideneheptane is sourced from PubChem (CID 134980193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).