dicyclohexyl(phenyl)bismuthane;sulfane

C18H29BiS — CID 172701421

IUPACdicyclohexyl(phenyl)bismuthane;sulfane
SMILESS.c1ccc([Bi](C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/2C6H11.C6H5.Bi.H2S/c3*1-2-4-6-5-3-1;;/h2*1H,2-6H2;1-5H;;1H2
InChIKeyDABPNQJTEGQTIE-UHFFFAOYSA-N
MW486.48 g/mol
LogP5.17
Rot. Bonds3

About dicyclohexyl(phenyl)bismuthane;sulfane

dicyclohexyl(phenyl)bismuthane;sulfane (PubChem CID 172701421) has the molecular formula C18H29BiS and a molecular weight of 486.48 g/mol. Its IUPAC name is dicyclohexyl(phenyl)bismuthane;sulfane.

Molecular Properties

Compound Namedicyclohexyl(phenyl)bismuthane;sulfane
PubChem CID172701421
Molecular FormulaC18H29BiS
Molecular Weight486.48 g/mol
Exact Mass486.18
IUPAC Namedicyclohexyl(phenyl)bismuthane;sulfane
SMILESS.c1ccc([Bi](C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/2C6H11.C6H5.Bi.H2S/c3*1-2-4-6-5-3-1;;/h2*1H,2-6H2;1-5H;;1H2
InChIKeyDABPNQJTEGQTIE-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.48
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl(phenyl)bismuthane;sulfane?
The IUPAC name of dicyclohexyl(phenyl)bismuthane;sulfane (CID 172701421) is dicyclohexyl(phenyl)bismuthane;sulfane.
What is the SMILES notation for dicyclohexyl(phenyl)bismuthane;sulfane?
The canonical SMILES for dicyclohexyl(phenyl)bismuthane;sulfane is S.c1ccc([Bi](C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of dicyclohexyl(phenyl)bismuthane;sulfane?
The InChIKey is DABPNQJTEGQTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11.C6H5.Bi.H2S/c3*1-2-4-6-5-3-1;;/h2*1H,2-6H2;1-5H;;1H2.
What are the key properties of dicyclohexyl(phenyl)bismuthane;sulfane?
dicyclohexyl(phenyl)bismuthane;sulfane has a molecular weight of 486.48 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl(phenyl)bismuthane;sulfane is sourced from PubChem (CID 172701421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).