CID 59386535

CH3BS — CID 59386535

IUPAC—
SMILES[2H]C([B])S
InChIInChI=1S/CH3BS/c2-1-3/h3H,1H2/i1D
InChIKeyLNAGQSQOJMMJDL-MICDWDOJSA-N
MW58.92 g/mol
LogP0.04
Rot. Bonds

About CID 59386535

CID 59386535 (PubChem CID 59386535) has the molecular formula CH3BS and a molecular weight of 58.92 g/mol.

Molecular Properties

Compound NameCID 59386535
PubChem CID59386535
Molecular FormulaCH3BS
Molecular Weight58.92 g/mol
Exact Mass59.01
IUPAC Name—
SMILES[2H]C([B])S
InChIInChI=1S/CH3BS/c2-1-3/h3H,1H2/i1D
InChIKeyLNAGQSQOJMMJDL-MICDWDOJSA-N
XLogP0.04
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50058.92
LogP ≤ 50.04
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 59386535?
The IUPAC name of CID 59386535 (CID 59386535) is not available.
What is the SMILES notation for CID 59386535?
The canonical SMILES for CID 59386535 is [2H]C([B])S.
What is the InChIKey of CID 59386535?
The InChIKey is LNAGQSQOJMMJDL-MICDWDOJSA-N. The full InChI is InChI=1S/CH3BS/c2-1-3/h3H,1H2/i1D.
What are the key properties of CID 59386535?
CID 59386535 has a molecular weight of 58.92 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59386535 is sourced from PubChem (CID 59386535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).