CID 174758420

C3H5BO3S — CID 174758420

IUPAC—
SMILES[B]OS(=O)(=O)CC=C
InChIInChI=1S/C3H5BO3S/c1-2-3-8(5,6)7-4/h2H,1,3H2
InChIKeyLIMQXEBDMQDKJI-UHFFFAOYSA-N
MW131.95 g/mol
LogP-0.40
Rot. Bonds3

About CID 174758420

CID 174758420 (PubChem CID 174758420) has the molecular formula C3H5BO3S and a molecular weight of 131.95 g/mol.

Molecular Properties

Compound NameCID 174758420
PubChem CID174758420
Molecular FormulaC3H5BO3S
Molecular Weight131.95 g/mol
Exact Mass132.01
IUPAC Name—
SMILES[B]OS(=O)(=O)CC=C
InChIInChI=1S/C3H5BO3S/c1-2-3-8(5,6)7-4/h2H,1,3H2
InChIKeyLIMQXEBDMQDKJI-UHFFFAOYSA-N
XLogP-0.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.95
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174758420?
The IUPAC name of CID 174758420 (CID 174758420) is not available.
What is the SMILES notation for CID 174758420?
The canonical SMILES for CID 174758420 is [B]OS(=O)(=O)CC=C.
What is the InChIKey of CID 174758420?
The InChIKey is LIMQXEBDMQDKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BO3S/c1-2-3-8(5,6)7-4/h2H,1,3H2.
What are the key properties of CID 174758420?
CID 174758420 has a molecular weight of 131.95 g/mol, XLogP of -0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174758420 is sourced from PubChem (CID 174758420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).