methylidene(oxathiazolidin-3-yloxy)borane

C3H6BNO2S — CID 174062330

IUPACmethylidene(oxathiazolidin-3-yloxy)borane
SMILESC=BON1CCOS1
InChIInChI=1S/C3H6BNO2S/c1-4-7-5-2-3-6-8-5/h1-3H2
InChIKeyYENMSKKASDOONB-UHFFFAOYSA-N
MW130.97 g/mol
LogP-0.14
Rot. Bonds2

About methylidene(oxathiazolidin-3-yloxy)borane

methylidene(oxathiazolidin-3-yloxy)borane (PubChem CID 174062330) has the molecular formula C3H6BNO2S and a molecular weight of 130.97 g/mol. Its IUPAC name is methylidene(oxathiazolidin-3-yloxy)borane.

Molecular Properties

Compound Namemethylidene(oxathiazolidin-3-yloxy)borane
PubChem CID174062330
Molecular FormulaC3H6BNO2S
Molecular Weight130.97 g/mol
Exact Mass131.02
IUPAC Namemethylidene(oxathiazolidin-3-yloxy)borane
SMILESC=BON1CCOS1
InChIInChI=1S/C3H6BNO2S/c1-4-7-5-2-3-6-8-5/h1-3H2
InChIKeyYENMSKKASDOONB-UHFFFAOYSA-N
XLogP-0.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.97
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methylidene(oxathiazolidin-3-yloxy)borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methylidene(oxathiazolidin-3-yloxy)borane?
The IUPAC name of methylidene(oxathiazolidin-3-yloxy)borane (CID 174062330) is methylidene(oxathiazolidin-3-yloxy)borane.
What is the SMILES notation for methylidene(oxathiazolidin-3-yloxy)borane?
The canonical SMILES for methylidene(oxathiazolidin-3-yloxy)borane is C=BON1CCOS1.
What is the InChIKey of methylidene(oxathiazolidin-3-yloxy)borane?
The InChIKey is YENMSKKASDOONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BNO2S/c1-4-7-5-2-3-6-8-5/h1-3H2.
What are the key properties of methylidene(oxathiazolidin-3-yloxy)borane?
methylidene(oxathiazolidin-3-yloxy)borane has a molecular weight of 130.97 g/mol, XLogP of -0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene(oxathiazolidin-3-yloxy)borane is sourced from PubChem (CID 174062330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).