benzene;copper;sulfane

C6H8CuS — CID 158995787

IUPACbenzene;copper;sulfane
SMILESS.[Cu].c1ccccc1
InChIInChI=1S/C6H6.Cu.H2S/c1-2-4-6-5-3-1;;/h1-6H;;1H2
InChIKeyCPLZJJBUYCIQBN-UHFFFAOYSA-N
MW175.74 g/mol
LogP1.80
Rot. Bonds

About benzene;copper;sulfane

benzene;copper;sulfane (PubChem CID 158995787) has the molecular formula C6H8CuS and a molecular weight of 175.74 g/mol. Its IUPAC name is benzene;copper;sulfane.

Molecular Properties

Compound Namebenzene;copper;sulfane
PubChem CID158995787
Molecular FormulaC6H8CuS
Molecular Weight175.74 g/mol
Exact Mass174.96
IUPAC Namebenzene;copper;sulfane
SMILESS.[Cu].c1ccccc1
InChIInChI=1S/C6H6.Cu.H2S/c1-2-4-6-5-3-1;;/h1-6H;;1H2
InChIKeyCPLZJJBUYCIQBN-UHFFFAOYSA-N
XLogP1.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.74
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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benzene;cyclohexane;sulfane
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copper;pyridine;sulfane
CID 174464612
benzene;zinc
CID 69398544
benzene;molybdenum
CID 11184302
benzene chloride
CID 22259851
CID 57470889
CID 57470889
CID 159867921
CID 159867921
CID 67279810
CID 67279810
benzene;helium
CID 71353422

Frequently Asked Questions

What is the IUPAC name of benzene;copper;sulfane?
The IUPAC name of benzene;copper;sulfane (CID 158995787) is benzene;copper;sulfane.
What is the SMILES notation for benzene;copper;sulfane?
The canonical SMILES for benzene;copper;sulfane is S.[Cu].c1ccccc1.
What is the InChIKey of benzene;copper;sulfane?
The InChIKey is CPLZJJBUYCIQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.Cu.H2S/c1-2-4-6-5-3-1;;/h1-6H;;1H2.
What are the key properties of benzene;copper;sulfane?
benzene;copper;sulfane has a molecular weight of 175.74 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;copper;sulfane is sourced from PubChem (CID 158995787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).