disodium;(5-butylthiophen-2-yl)oxy-dioxidoborane

C8H11BNa2O3S — CID 66625740

IUPACdisodium;(5-butylthiophen-2-yl)oxy-dioxidoborane
SMILESCCCCc1ccc(OB([O-])[O-])s1.[Na+].[Na+]
InChIInChI=1S/C8H11BO3S.2Na/c1-2-3-4-7-5-6-8(13-7)12-9(10)11;;/h5-6H,2-4H2,1H3;;/q-2;2*+1
InChIKeyFFJQXWAYBVSWNB-UHFFFAOYSA-N
MW244.03 g/mol
LogP-5.82
Rot. Bonds5

About disodium;(5-butylthiophen-2-yl)oxy-dioxidoborane

disodium;(5-butylthiophen-2-yl)oxy-dioxidoborane (PubChem CID 66625740) has the molecular formula C8H11BNa2O3S and a molecular weight of 244.03 g/mol. Its IUPAC name is disodium;(5-butylthiophen-2-yl)oxy-dioxidoborane.

Molecular Properties

Compound Namedisodium;(5-butylthiophen-2-yl)oxy-dioxidoborane
PubChem CID66625740
Molecular FormulaC8H11BNa2O3S
Molecular Weight244.03 g/mol
Exact Mass244.03
IUPAC Namedisodium;(5-butylthiophen-2-yl)oxy-dioxidoborane
SMILESCCCCc1ccc(OB([O-])[O-])s1.[Na+].[Na+]
InChIInChI=1S/C8H11BO3S.2Na/c1-2-3-4-7-5-6-8(13-7)12-9(10)11;;/h5-6H,2-4H2,1H3;;/q-2;2*+1
InChIKeyFFJQXWAYBVSWNB-UHFFFAOYSA-N
XLogP-5.82
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.03
LogP ≤ 5-5.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 disodium;(5-butylthiophen-2-yl)oxy-dioxidoborane?
The IUPAC name of disodium;(5-butylthiophen-2-yl)oxy-dioxidoborane (CID 66625740) is disodium;(5-butylthiophen-2-yl)oxy-dioxidoborane.
What is the SMILES notation for disodium;(5-butylthiophen-2-yl)oxy-dioxidoborane?
The canonical SMILES for disodium;(5-butylthiophen-2-yl)oxy-dioxidoborane is CCCCc1ccc(OB([O-])[O-])s1.[Na+].[Na+].
What is the InChIKey of disodium;(5-butylthiophen-2-yl)oxy-dioxidoborane?
The InChIKey is FFJQXWAYBVSWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BO3S.2Na/c1-2-3-4-7-5-6-8(13-7)12-9(10)11;;/h5-6H,2-4H2,1H3;;/q-2;2*+1.
What are the key properties of disodium;(5-butylthiophen-2-yl)oxy-dioxidoborane?
disodium;(5-butylthiophen-2-yl)oxy-dioxidoborane has a molecular weight of 244.03 g/mol, XLogP of -5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(5-butylthiophen-2-yl)oxy-dioxidoborane is sourced from PubChem (CID 66625740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).