ethylsulfanyl(dipropoxy)borane

C8H19BO2S — CID 154135738

IUPACethylsulfanyl(dipropoxy)borane
SMILESCCCOB(OCCC)SCC
InChIInChI=1S/C8H19BO2S/c1-4-7-10-9(12-6-3)11-8-5-2/h4-8H2,1-3H3
InChIKeySIFHNAJNXKHTMP-UHFFFAOYSA-N
MW190.12 g/mol
LogP2.58
Rot. Bonds8

About ethylsulfanyl(dipropoxy)borane

ethylsulfanyl(dipropoxy)borane (PubChem CID 154135738) has the molecular formula C8H19BO2S and a molecular weight of 190.12 g/mol. Its IUPAC name is ethylsulfanyl(dipropoxy)borane.

Molecular Properties

Compound Nameethylsulfanyl(dipropoxy)borane
PubChem CID154135738
Molecular FormulaC8H19BO2S
Molecular Weight190.12 g/mol
Exact Mass190.12
IUPAC Nameethylsulfanyl(dipropoxy)borane
SMILESCCCOB(OCCC)SCC
InChIInChI=1S/C8H19BO2S/c1-4-7-10-9(12-6-3)11-8-5-2/h4-8H2,1-3H3
InChIKeySIFHNAJNXKHTMP-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dipropoxyboranyl dipropyl borate
CID 141350690
ethylsulfanyl(dimethyl)borane
CID 12656594
pentafluoro-λ5-phosphane;propyl hydrogen carbonate
CID 160745918
1-(1,2,2-tripropoxyethenoxy)propane
CID 12561622
fluoromethane;1-methoxypropane
CID 54348192
1-(1-fluoroethenoxy)propane
CID 22996827
1-(methylsulfanylamino)oxypropane
CID 130298845
cyanomethyl dipropyl borate
CID 151454429
propane-1,2-diol;propoxyboronic acid
CID 158326644
propyl 3-[(3-oxo-3-propoxypropyl)disulfanyl]propanoate
CID 87087500
1-(propoxymethylsulfanylmethoxy)propane
CID 151305638
1-(iodoamino)oxypropane
CID 88548400

Frequently Asked Questions

What is the IUPAC name of ethylsulfanyl(dipropoxy)borane?
The IUPAC name of ethylsulfanyl(dipropoxy)borane (CID 154135738) is ethylsulfanyl(dipropoxy)borane.
What is the SMILES notation for ethylsulfanyl(dipropoxy)borane?
The canonical SMILES for ethylsulfanyl(dipropoxy)borane is CCCOB(OCCC)SCC.
What is the InChIKey of ethylsulfanyl(dipropoxy)borane?
The InChIKey is SIFHNAJNXKHTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BO2S/c1-4-7-10-9(12-6-3)11-8-5-2/h4-8H2,1-3H3.
What are the key properties of ethylsulfanyl(dipropoxy)borane?
ethylsulfanyl(dipropoxy)borane has a molecular weight of 190.12 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanyl(dipropoxy)borane is sourced from PubChem (CID 154135738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).