(5-pentylthiophen-2-yl)boronic acid

C9H15BO2S — CID 53398606

IUPAC(5-pentylthiophen-2-yl)boronic acid
SMILESCCCCCc1ccc(B(O)O)s1
InChIInChI=1S/C9H15BO2S/c1-2-3-4-5-8-6-7-9(13-8)10(11)12/h6-7,11-12H,2-5H2,1H3
InChIKeyDVQLUSADOTYYGS-UHFFFAOYSA-N
MW198.10 g/mol
LogP1.16
Rot. Bonds5

About (5-pentylthiophen-2-yl)boronic acid

(5-pentylthiophen-2-yl)boronic acid (PubChem CID 53398606) has the molecular formula C9H15BO2S and a molecular weight of 198.10 g/mol. Its IUPAC name is (5-pentylthiophen-2-yl)boronic acid.

Molecular Properties

Compound Name(5-pentylthiophen-2-yl)boronic acid
PubChem CID53398606
Molecular FormulaC9H15BO2S
Molecular Weight198.10 g/mol
Exact Mass198.09
IUPAC Name(5-pentylthiophen-2-yl)boronic acid
SMILESCCCCCc1ccc(B(O)O)s1
InChIInChI=1S/C9H15BO2S/c1-2-3-4-5-8-6-7-9(13-8)10(11)12/h6-7,11-12H,2-5H2,1H3
InChIKeyDVQLUSADOTYYGS-UHFFFAOYSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-[(pentylamino)methyl]thiophen-2-yl]boronic acid
CID 66722868
2,5-diheptylthiophene
CID 607114
[5-[(hexylamino)methyl]thiophen-2-yl]boronic acid
CID 66723135
2-dodecyl-5-ethylthiophene
CID 528251
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
2-(4-bromobutyl)-5-octylthiophene
CID 132557960
2-pentyl-5-(trifluoromethyl)thiophene
CID 143267896
2-tert-butyl-5-decylthiophene
CID 140589356
2-(methylsulfanylmethyl)-5-pentylthiophene
CID 172739134
sodium (5-hexylthiophen-2-yl)-trihydroxyboranuide
CID 23684329
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
(5-decylthiophen-2-yl)-trimethylstannane
CID 140863319

Frequently Asked Questions

What is the IUPAC name of (5-pentylthiophen-2-yl)boronic acid?
The IUPAC name of (5-pentylthiophen-2-yl)boronic acid (CID 53398606) is (5-pentylthiophen-2-yl)boronic acid.
What is the SMILES notation for (5-pentylthiophen-2-yl)boronic acid?
The canonical SMILES for (5-pentylthiophen-2-yl)boronic acid is CCCCCc1ccc(B(O)O)s1.
What is the InChIKey of (5-pentylthiophen-2-yl)boronic acid?
The InChIKey is DVQLUSADOTYYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BO2S/c1-2-3-4-5-8-6-7-9(13-8)10(11)12/h6-7,11-12H,2-5H2,1H3.
What are the key properties of (5-pentylthiophen-2-yl)boronic acid?
(5-pentylthiophen-2-yl)boronic acid has a molecular weight of 198.10 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pentylthiophen-2-yl)boronic acid is sourced from PubChem (CID 53398606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).