bismuthane;4-chlorobenzenethiol

C6H8BiClS — CID 173174465

IUPACbismuthane;4-chlorobenzenethiol
SMILESSc1ccc(Cl)cc1.[BiH3]
InChIInChI=1S/C6H5ClS.Bi.3H/c7-5-1-3-6(8)4-2-5;;;;/h1-4,8H;;;;
InChIKeyVZECIZAOOBEWCV-UHFFFAOYSA-N
MW356.63 g/mol
LogP1.44
Rot. Bonds

About bismuthane;4-chlorobenzenethiol

bismuthane;4-chlorobenzenethiol (PubChem CID 173174465) has the molecular formula C6H8BiClS and a molecular weight of 356.63 g/mol. Its IUPAC name is bismuthane;4-chlorobenzenethiol.

Molecular Properties

Compound Namebismuthane;4-chlorobenzenethiol
PubChem CID173174465
Molecular FormulaC6H8BiClS
Molecular Weight356.63 g/mol
Exact Mass355.98
IUPAC Namebismuthane;4-chlorobenzenethiol
SMILESSc1ccc(Cl)cc1.[BiH3]
InChIInChI=1S/C6H5ClS.Bi.3H/c7-5-1-3-6(8)4-2-5;;;;/h1-4,8H;;;;
InChIKeyVZECIZAOOBEWCV-UHFFFAOYSA-N
XLogP1.44
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.63
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bismuthane;4-chlorobenzenethiol?
The IUPAC name of bismuthane;4-chlorobenzenethiol (CID 173174465) is bismuthane;4-chlorobenzenethiol.
What is the SMILES notation for bismuthane;4-chlorobenzenethiol?
The canonical SMILES for bismuthane;4-chlorobenzenethiol is Sc1ccc(Cl)cc1.[BiH3].
What is the InChIKey of bismuthane;4-chlorobenzenethiol?
The InChIKey is VZECIZAOOBEWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClS.Bi.3H/c7-5-1-3-6(8)4-2-5;;;;/h1-4,8H;;;;.
What are the key properties of bismuthane;4-chlorobenzenethiol?
bismuthane;4-chlorobenzenethiol has a molecular weight of 356.63 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bismuthane;4-chlorobenzenethiol is sourced from PubChem (CID 173174465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).