CID 89243325

C6H4BO2S- — CID 89243325

IUPAC—
SMILES[B]c1ccc(S(=O)[O-])cc1
InChIInChI=1S/C6H5BO2S/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)/p-1
InChIKeyXICUSHSWNXTMQH-UHFFFAOYSA-M
MW150.97 g/mol
LogP-0.28
Rot. Bonds1

About CID 89243325

CID 89243325 (PubChem CID 89243325) has the molecular formula C6H4BO2S- and a molecular weight of 150.97 g/mol.

Molecular Properties

Compound NameCID 89243325
PubChem CID89243325
Molecular FormulaC6H4BO2S-
Molecular Weight150.97 g/mol
Exact Mass151.00
IUPAC Name—
SMILES[B]c1ccc(S(=O)[O-])cc1
InChIInChI=1S/C6H5BO2S/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)/p-1
InChIKeyXICUSHSWNXTMQH-UHFFFAOYSA-M
XLogP-0.28
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.97
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89243325?
The IUPAC name of CID 89243325 (CID 89243325) is not available.
What is the SMILES notation for CID 89243325?
The canonical SMILES for CID 89243325 is [B]c1ccc(S(=O)[O-])cc1.
What is the InChIKey of CID 89243325?
The InChIKey is XICUSHSWNXTMQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5BO2S/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)/p-1.
What are the key properties of CID 89243325?
CID 89243325 has a molecular weight of 150.97 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89243325 is sourced from PubChem (CID 89243325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).