CID 159842480

C4H12BSY-2 — CID 159842480

IUPAC—
SMILESCS.[B].[CH2-]C.[CH3-].[Y]
InChIInChI=1S/C2H5.CH4S.CH3.B.Y/c2*1-2;;;/h1H2,2H3;2H,1H3;1H3;;/q-1;;-1;;
InChIKeyYIUPRKNSASADCJ-UHFFFAOYSA-N
MW191.93 g/mol
LogP1.45
Rot. Bonds

About CID 159842480

CID 159842480 (PubChem CID 159842480) has the molecular formula C4H12BSY-2 and a molecular weight of 191.93 g/mol.

Molecular Properties

Compound NameCID 159842480
PubChem CID159842480
Molecular FormulaC4H12BSY-2
Molecular Weight191.93 g/mol
Exact Mass191.98
IUPAC Name—
SMILESCS.[B].[CH2-]C.[CH3-].[Y]
InChIInChI=1S/C2H5.CH4S.CH3.B.Y/c2*1-2;;;/h1H2,2H3;2H,1H3;1H3;;/q-1;;-1;;
InChIKeyYIUPRKNSASADCJ-UHFFFAOYSA-N
XLogP1.45
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.93
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 159842480?
The IUPAC name of CID 159842480 (CID 159842480) is not available.
What is the SMILES notation for CID 159842480?
The canonical SMILES for CID 159842480 is CS.[B].[CH2-]C.[CH3-].[Y].
What is the InChIKey of CID 159842480?
The InChIKey is YIUPRKNSASADCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5.CH4S.CH3.B.Y/c2*1-2;;;/h1H2,2H3;2H,1H3;1H3;;/q-1;;-1;;.
What are the key properties of CID 159842480?
CID 159842480 has a molecular weight of 191.93 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159842480 is sourced from PubChem (CID 159842480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).