copper(1+);ethylsulfanylbenzene

C8H9CuS — CID 73192329

IUPACcopper(1+);ethylsulfanylbenzene
SMILESCCSc1[c-]cccc1.[Cu+]
InChIInChI=1S/C8H9S.Cu/c1-2-9-8-6-4-3-5-7-8;/h3-6H,2H2,1H3;/q-1;+1
InChIKeyHVALRRNWPURPOS-UHFFFAOYSA-N
MW200.77 g/mol
LogP2.60
Rot. Bonds2

About copper(1+);ethylsulfanylbenzene

copper(1+);ethylsulfanylbenzene (PubChem CID 73192329) has the molecular formula C8H9CuS and a molecular weight of 200.77 g/mol. Its IUPAC name is copper(1+);ethylsulfanylbenzene.

Molecular Properties

Compound Namecopper(1+);ethylsulfanylbenzene
PubChem CID73192329
Molecular FormulaC8H9CuS
Molecular Weight200.77 g/mol
Exact Mass199.97
IUPAC Namecopper(1+);ethylsulfanylbenzene
SMILESCCSc1[c-]cccc1.[Cu+]
InChIInChI=1S/C8H9S.Cu/c1-2-9-8-6-4-3-5-7-8;/h3-6H,2H2,1H3;/q-1;+1
InChIKeyHVALRRNWPURPOS-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.77
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper(1+);ethylsulfanylbenzene?
The IUPAC name of copper(1+);ethylsulfanylbenzene (CID 73192329) is copper(1+);ethylsulfanylbenzene.
What is the SMILES notation for copper(1+);ethylsulfanylbenzene?
The canonical SMILES for copper(1+);ethylsulfanylbenzene is CCSc1[c-]cccc1.[Cu+].
What is the InChIKey of copper(1+);ethylsulfanylbenzene?
The InChIKey is HVALRRNWPURPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9S.Cu/c1-2-9-8-6-4-3-5-7-8;/h3-6H,2H2,1H3;/q-1;+1.
What are the key properties of copper(1+);ethylsulfanylbenzene?
copper(1+);ethylsulfanylbenzene has a molecular weight of 200.77 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);ethylsulfanylbenzene is sourced from PubChem (CID 73192329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).