methyl(sulfanylideneboranyl)phosphane

CH4BPS — CID 23386257

IUPACmethyl(sulfanylideneboranyl)phosphane
SMILESCPB=S
InChIInChI=1S/CH4BPS/c1-3-2-4/h3H,1H3
InChIKeyGTCPSQZSBWGNOG-UHFFFAOYSA-N
MW89.90 g/mol
LogP1.03
Rot. Bonds1

About methyl(sulfanylideneboranyl)phosphane

methyl(sulfanylideneboranyl)phosphane (PubChem CID 23386257) has the molecular formula CH4BPS and a molecular weight of 89.90 g/mol. Its IUPAC name is methyl(sulfanylideneboranyl)phosphane.

Molecular Properties

Compound Namemethyl(sulfanylideneboranyl)phosphane
PubChem CID23386257
Molecular FormulaCH4BPS
Molecular Weight89.90 g/mol
Exact Mass89.99
IUPAC Namemethyl(sulfanylideneboranyl)phosphane
SMILESCPB=S
InChIInChI=1S/CH4BPS/c1-3-2-4/h3H,1H3
InChIKeyGTCPSQZSBWGNOG-UHFFFAOYSA-N
XLogP1.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.90
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(sulfanylideneboranyl)phosphane?
The IUPAC name of methyl(sulfanylideneboranyl)phosphane (CID 23386257) is methyl(sulfanylideneboranyl)phosphane.
What is the SMILES notation for methyl(sulfanylideneboranyl)phosphane?
The canonical SMILES for methyl(sulfanylideneboranyl)phosphane is CPB=S.
What is the InChIKey of methyl(sulfanylideneboranyl)phosphane?
The InChIKey is GTCPSQZSBWGNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4BPS/c1-3-2-4/h3H,1H3.
What are the key properties of methyl(sulfanylideneboranyl)phosphane?
methyl(sulfanylideneboranyl)phosphane has a molecular weight of 89.90 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(sulfanylideneboranyl)phosphane is sourced from PubChem (CID 23386257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).