methoxy-(sulfanylidene-λ4-sulfanylidene)borane

CH3BOS2 — CID 90291296

IUPACmethoxy-(sulfanylidene-λ4-sulfanylidene)borane
SMILESCOB=S=S
InChIInChI=1S/CH3BOS2/c1-3-2-5-4/h1H3
InChIKeyHRTUVJTUBBVZQX-UHFFFAOYSA-N
MW105.98 g/mol
LogP-0.29
Rot. Bonds1

About methoxy-(sulfanylidene-λ4-sulfanylidene)borane

methoxy-(sulfanylidene-λ4-sulfanylidene)borane (PubChem CID 90291296) has the molecular formula CH3BOS2 and a molecular weight of 105.98 g/mol. Its IUPAC name is methoxy-(sulfanylidene-λ4-sulfanylidene)borane.

Molecular Properties

Compound Namemethoxy-(sulfanylidene-λ4-sulfanylidene)borane
PubChem CID90291296
Molecular FormulaCH3BOS2
Molecular Weight105.98 g/mol
Exact Mass105.97
IUPAC Namemethoxy-(sulfanylidene-λ4-sulfanylidene)borane
SMILESCOB=S=S
InChIInChI=1S/CH3BOS2/c1-3-2-5-4/h1H3
InChIKeyHRTUVJTUBBVZQX-UHFFFAOYSA-N
XLogP-0.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.98
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methoxy-(sulfanylidene-λ4-sulfanylidene)borane with MolForge

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

Launch Full Analysis

Related Compounds

CID 59859096
CID 59859096
CID 87178219
CID 87178219
methoxy(oxo)borane
CID 22764434
CID 87596702
CID 87596702
dideuterio(methoxy)methane
CID 58133317
O-methyl dimethylphosphoryloxymethylsulfanylmethanethioate;rubidium(1+)
CID 59498548
CID 126604063
CID 126604063
alumane;methoxymethane
CID 173236671
λ2-plumbane;methoxymethane
CID 174743176
methoxymethane;hydrate
CID 18323453
methoxymethane;titanium
CID 159442772
ethane;methoxymethane
CID 91263182

Frequently Asked Questions

What is the IUPAC name of methoxy-(sulfanylidene-λ4-sulfanylidene)borane?
The IUPAC name of methoxy-(sulfanylidene-λ4-sulfanylidene)borane (CID 90291296) is methoxy-(sulfanylidene-λ4-sulfanylidene)borane.
What is the SMILES notation for methoxy-(sulfanylidene-λ4-sulfanylidene)borane?
The canonical SMILES for methoxy-(sulfanylidene-λ4-sulfanylidene)borane is COB=S=S.
What is the InChIKey of methoxy-(sulfanylidene-λ4-sulfanylidene)borane?
The InChIKey is HRTUVJTUBBVZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3BOS2/c1-3-2-5-4/h1H3.
What are the key properties of methoxy-(sulfanylidene-λ4-sulfanylidene)borane?
methoxy-(sulfanylidene-λ4-sulfanylidene)borane has a molecular weight of 105.98 g/mol, XLogP of -0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(sulfanylidene-λ4-sulfanylidene)borane is sourced from PubChem (CID 90291296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).