CID 59264638

CH4BSU — CID 59264638

IUPAC—
SMILESC[B]S.[U]
InChIInChI=1S/CH4BS.U/c1-2-3;/h3H,1H3;
InChIKeyNBVFTZMYOCJHBK-UHFFFAOYSA-N
MW296.95 g/mol
LogP0.58
Rot. Bonds

About CID 59264638

CID 59264638 (PubChem CID 59264638) has the molecular formula CH4BSU and a molecular weight of 296.95 g/mol.

Molecular Properties

Compound NameCID 59264638
PubChem CID59264638
Molecular FormulaCH4BSU
Molecular Weight296.95 g/mol
Exact Mass297.06
IUPAC Name—
SMILESC[B]S.[U]
InChIInChI=1S/CH4BS.U/c1-2-3;/h3H,1H3;
InChIKeyNBVFTZMYOCJHBK-UHFFFAOYSA-N
XLogP0.58
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.95
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59264638?
The IUPAC name of CID 59264638 (CID 59264638) is not available.
What is the SMILES notation for CID 59264638?
The canonical SMILES for CID 59264638 is C[B]S.[U].
What is the InChIKey of CID 59264638?
The InChIKey is NBVFTZMYOCJHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4BS.U/c1-2-3;/h3H,1H3;.
What are the key properties of CID 59264638?
CID 59264638 has a molecular weight of 296.95 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59264638 is sourced from PubChem (CID 59264638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).