4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene

C11H10Br2S — CID 130792061

IUPAC4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene
SMILESCCc1cc2c(Br)c(CBr)ccc2s1
InChIInChI=1S/C11H10Br2S/c1-2-8-5-9-10(14-8)4-3-7(6-12)11(9)13/h3-5H,2,6H2,1H3
InChIKeyHRCAXEKVCXWJAQ-UHFFFAOYSA-N
MW334.08 g/mol
LogP5.12
Rot. Bonds2

About 4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene

4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene (PubChem CID 130792061) has the molecular formula C11H10Br2S and a molecular weight of 334.08 g/mol. Its IUPAC name is 4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene.

Molecular Properties

Compound Name4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene
PubChem CID130792061
Molecular FormulaC11H10Br2S
Molecular Weight334.08 g/mol
Exact Mass331.89
IUPAC Name4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene
SMILESCCc1cc2c(Br)c(CBr)ccc2s1
InChIInChI=1S/C11H10Br2S/c1-2-8-5-9-10(14-8)4-3-7(6-12)11(9)13/h3-5H,2,6H2,1H3
InChIKeyHRCAXEKVCXWJAQ-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.08
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7,16-diethyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651605
5-bromo-4-chloro-2-ethyl-1-benzothiophene
CID 131030854
4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine
CID 130788319
7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole
CID 144783026
(5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol
CID 130951766
4-bromo-2,6-diethyl-1-benzothiophene
CID 131029500
7-ethyl-6,18-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58411414
5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene
CID 131014328
6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol
CID 130941761
2-ethyl-4-iodo-1-benzothiophene
CID 135322307
2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol
CID 130913641
3-bromo-2-(bromomethyl)-5-chloro-1-benzothiophene
CID 130971721

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene?
The IUPAC name of 4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene (CID 130792061) is 4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene.
What is the SMILES notation for 4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene?
The canonical SMILES for 4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene is CCc1cc2c(Br)c(CBr)ccc2s1.
What is the InChIKey of 4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene?
The InChIKey is HRCAXEKVCXWJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2S/c1-2-8-5-9-10(14-8)4-3-7(6-12)11(9)13/h3-5H,2,6H2,1H3.
What are the key properties of 4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene?
4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene has a molecular weight of 334.08 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene is sourced from PubChem (CID 130792061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).