CID 89207862

C7H11BO3S — CID 89207862

IUPAC—
SMILES[B]C(=O)CCCS(=O)(=O)C1CC1
InChIInChI=1S/C7H11BO3S/c8-7(9)2-1-5-12(10,11)6-3-4-6/h6H,1-5H2
InChIKeyFFWROXCIKCSBPB-UHFFFAOYSA-N
MW186.04 g/mol
LogP0.04
Rot. Bonds5

About CID 89207862

CID 89207862 (PubChem CID 89207862) has the molecular formula C7H11BO3S and a molecular weight of 186.04 g/mol.

Molecular Properties

Compound NameCID 89207862
PubChem CID89207862
Molecular FormulaC7H11BO3S
Molecular Weight186.04 g/mol
Exact Mass186.05
IUPAC Name—
SMILES[B]C(=O)CCCS(=O)(=O)C1CC1
InChIInChI=1S/C7H11BO3S/c8-7(9)2-1-5-12(10,11)6-3-4-6/h6H,1-5H2
InChIKeyFFWROXCIKCSBPB-UHFFFAOYSA-N
XLogP0.04
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.04
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 CID 89207862?
The IUPAC name of CID 89207862 (CID 89207862) is not available.
What is the SMILES notation for CID 89207862?
The canonical SMILES for CID 89207862 is [B]C(=O)CCCS(=O)(=O)C1CC1.
What is the InChIKey of CID 89207862?
The InChIKey is FFWROXCIKCSBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BO3S/c8-7(9)2-1-5-12(10,11)6-3-4-6/h6H,1-5H2.
What are the key properties of CID 89207862?
CID 89207862 has a molecular weight of 186.04 g/mol, XLogP of 0.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89207862 is sourced from PubChem (CID 89207862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).