ethoxy-methoxy-thiophen-2-ylborane

C7H11BO2S — CID 140963411

IUPACethoxy-methoxy-thiophen-2-ylborane
SMILESCCOB(OC)c1cccs1
InChIInChI=1S/C7H11BO2S/c1-3-10-8(9-2)7-5-4-6-11-7/h4-6H,3H2,1-2H3
InChIKeyNKDOUMQRKGRJCJ-UHFFFAOYSA-N
MW170.04 g/mol
LogP1.13
Rot. Bonds4

About ethoxy-methoxy-thiophen-2-ylborane

ethoxy-methoxy-thiophen-2-ylborane (PubChem CID 140963411) has the molecular formula C7H11BO2S and a molecular weight of 170.04 g/mol. Its IUPAC name is ethoxy-methoxy-thiophen-2-ylborane.

Molecular Properties

Compound Nameethoxy-methoxy-thiophen-2-ylborane
PubChem CID140963411
Molecular FormulaC7H11BO2S
Molecular Weight170.04 g/mol
Exact Mass170.06
IUPAC Nameethoxy-methoxy-thiophen-2-ylborane
SMILESCCOB(OC)c1cccs1
InChIInChI=1S/C7H11BO2S/c1-3-10-8(9-2)7-5-4-6-11-7/h4-6H,3H2,1-2H3
InChIKeyNKDOUMQRKGRJCJ-UHFFFAOYSA-N
XLogP1.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.04
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethoxy-methoxy-thiophen-2-ylborane?
The IUPAC name of ethoxy-methoxy-thiophen-2-ylborane (CID 140963411) is ethoxy-methoxy-thiophen-2-ylborane.
What is the SMILES notation for ethoxy-methoxy-thiophen-2-ylborane?
The canonical SMILES for ethoxy-methoxy-thiophen-2-ylborane is CCOB(OC)c1cccs1.
What is the InChIKey of ethoxy-methoxy-thiophen-2-ylborane?
The InChIKey is NKDOUMQRKGRJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BO2S/c1-3-10-8(9-2)7-5-4-6-11-7/h4-6H,3H2,1-2H3.
What are the key properties of ethoxy-methoxy-thiophen-2-ylborane?
ethoxy-methoxy-thiophen-2-ylborane has a molecular weight of 170.04 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-methoxy-thiophen-2-ylborane is sourced from PubChem (CID 140963411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).