Terbutylmercaptoborane

C4H9BS — CID 88587659

IUPAC—
SMILES[B]SC(C)(C)C
InChIInChI=1S/C4H9BS/c1-4(2,3)6-5/h1-3H3
InChIKeyOPVSIEQBWUAMDR-UHFFFAOYSA-N
MW99.99 g/mol
LogP1.60
Rot. Bonds

About Terbutylmercaptoborane

Terbutylmercaptoborane (PubChem CID 88587659) has the molecular formula C4H9BS and a molecular weight of 99.99 g/mol.

Molecular Properties

Compound NameTerbutylmercaptoborane
PubChem CID88587659
Molecular FormulaC4H9BS
Molecular Weight99.99 g/mol
Exact Mass100.05
IUPAC Name—
SMILES[B]SC(C)(C)C
InChIInChI=1S/C4H9BS/c1-4(2,3)6-5/h1-3H3
InChIKeyOPVSIEQBWUAMDR-UHFFFAOYSA-N
XLogP1.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.99
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Terbutylmercaptoborane?
The IUPAC name of Terbutylmercaptoborane (CID 88587659) is not available.
What is the SMILES notation for Terbutylmercaptoborane?
The canonical SMILES for Terbutylmercaptoborane is [B]SC(C)(C)C.
What is the InChIKey of Terbutylmercaptoborane?
The InChIKey is OPVSIEQBWUAMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BS/c1-4(2,3)6-5/h1-3H3.
What are the key properties of Terbutylmercaptoborane?
Terbutylmercaptoborane has a molecular weight of 99.99 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Terbutylmercaptoborane is sourced from PubChem (CID 88587659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).