(4-ethylthiophen-2-yl)-dimethoxyborane

C8H13BO2S — CID 69499397

IUPAC(4-ethylthiophen-2-yl)-dimethoxyborane
SMILESCCc1csc(B(OC)OC)c1
InChIInChI=1S/C8H13BO2S/c1-4-7-5-8(12-6-7)9(10-2)11-3/h5-6H,4H2,1-3H3
InChIKeyZRZSEZKNULXJPQ-UHFFFAOYSA-N
MW184.07 g/mol
LogP1.30
Rot. Bonds4

About (4-ethylthiophen-2-yl)-dimethoxyborane

(4-ethylthiophen-2-yl)-dimethoxyborane (PubChem CID 69499397) has the molecular formula C8H13BO2S and a molecular weight of 184.07 g/mol. Its IUPAC name is (4-ethylthiophen-2-yl)-dimethoxyborane.

Molecular Properties

Compound Name(4-ethylthiophen-2-yl)-dimethoxyborane
PubChem CID69499397
Molecular FormulaC8H13BO2S
Molecular Weight184.07 g/mol
Exact Mass184.07
IUPAC Name(4-ethylthiophen-2-yl)-dimethoxyborane
SMILESCCc1csc(B(OC)OC)c1
InChIInChI=1S/C8H13BO2S/c1-4-7-5-8(12-6-7)9(10-2)11-3/h5-6H,4H2,1-3H3
InChIKeyZRZSEZKNULXJPQ-UHFFFAOYSA-N
XLogP1.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 51.30
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 (4-ethylthiophen-2-yl)-dimethoxyborane?
The IUPAC name of (4-ethylthiophen-2-yl)-dimethoxyborane (CID 69499397) is (4-ethylthiophen-2-yl)-dimethoxyborane.
What is the SMILES notation for (4-ethylthiophen-2-yl)-dimethoxyborane?
The canonical SMILES for (4-ethylthiophen-2-yl)-dimethoxyborane is CCc1csc(B(OC)OC)c1.
What is the InChIKey of (4-ethylthiophen-2-yl)-dimethoxyborane?
The InChIKey is ZRZSEZKNULXJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BO2S/c1-4-7-5-8(12-6-7)9(10-2)11-3/h5-6H,4H2,1-3H3.
What are the key properties of (4-ethylthiophen-2-yl)-dimethoxyborane?
(4-ethylthiophen-2-yl)-dimethoxyborane has a molecular weight of 184.07 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiophen-2-yl)-dimethoxyborane is sourced from PubChem (CID 69499397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).