CID 19104363

C4H5BNO2S — CID 19104363

IUPAC—
SMILESO=C(O)[B]N1C=CSC1
InChIInChI=1S/C4H5BNO2S/c7-4(8)5-6-1-2-9-3-6/h1-2H,3H2,(H,7,8)
InChIKeyUWINNLNXZSARKC-UHFFFAOYSA-N
MW141.97 g/mol
LogP0.76
Rot. Bonds2

About CID 19104363

CID 19104363 (PubChem CID 19104363) has the molecular formula C4H5BNO2S and a molecular weight of 141.97 g/mol.

Molecular Properties

Compound NameCID 19104363
PubChem CID19104363
Molecular FormulaC4H5BNO2S
Molecular Weight141.97 g/mol
Exact Mass142.01
IUPAC Name—
SMILESO=C(O)[B]N1C=CSC1
InChIInChI=1S/C4H5BNO2S/c7-4(8)5-6-1-2-9-3-6/h1-2H,3H2,(H,7,8)
InChIKeyUWINNLNXZSARKC-UHFFFAOYSA-N
XLogP0.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.97
LogP ≤ 50.76
H-Bond Donors ≤ 51
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 19104363?
The IUPAC name of CID 19104363 (CID 19104363) is not available.
What is the SMILES notation for CID 19104363?
The canonical SMILES for CID 19104363 is O=C(O)[B]N1C=CSC1.
What is the InChIKey of CID 19104363?
The InChIKey is UWINNLNXZSARKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BNO2S/c7-4(8)5-6-1-2-9-3-6/h1-2H,3H2,(H,7,8).
What are the key properties of CID 19104363?
CID 19104363 has a molecular weight of 141.97 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19104363 is sourced from PubChem (CID 19104363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).