ethylsulfanyl(dimethyl)borane

C4H11BS — CID 12656594

IUPACethylsulfanyl(dimethyl)borane
SMILESCCSB(C)C
InChIInChI=1S/C4H11BS/c1-4-6-5(2)3/h4H2,1-3H3
InChIKeyCOMOKSCWCNWOAS-UHFFFAOYSA-N
MW102.01 g/mol
LogP1.99
Rot. Bonds2

About ethylsulfanyl(dimethyl)borane

ethylsulfanyl(dimethyl)borane (PubChem CID 12656594) has the molecular formula C4H11BS and a molecular weight of 102.01 g/mol. Its IUPAC name is ethylsulfanyl(dimethyl)borane.

Molecular Properties

Compound Nameethylsulfanyl(dimethyl)borane
PubChem CID12656594
Molecular FormulaC4H11BS
Molecular Weight102.01 g/mol
Exact Mass102.07
IUPAC Nameethylsulfanyl(dimethyl)borane
SMILESCCSB(C)C
InChIInChI=1S/C4H11BS/c1-4-6-5(2)3/h4H2,1-3H3
InChIKeyCOMOKSCWCNWOAS-UHFFFAOYSA-N
XLogP1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.01
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylsulfanyl(dimethyl)borane?
The IUPAC name of ethylsulfanyl(dimethyl)borane (CID 12656594) is ethylsulfanyl(dimethyl)borane.
What is the SMILES notation for ethylsulfanyl(dimethyl)borane?
The canonical SMILES for ethylsulfanyl(dimethyl)borane is CCSB(C)C.
What is the InChIKey of ethylsulfanyl(dimethyl)borane?
The InChIKey is COMOKSCWCNWOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11BS/c1-4-6-5(2)3/h4H2,1-3H3.
What are the key properties of ethylsulfanyl(dimethyl)borane?
ethylsulfanyl(dimethyl)borane has a molecular weight of 102.01 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanyl(dimethyl)borane is sourced from PubChem (CID 12656594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).