3-bromo-5-(2-chloroethyl)-2-methylthiophene

C7H8BrClS — CID 102844914

IUPAC3-bromo-5-(2-chloroethyl)-2-methylthiophene
SMILESCc1sc(CCCl)cc1Br
InChIInChI=1S/C7H8BrClS/c1-5-7(8)4-6(10-5)2-3-9/h4H,2-3H2,1H3
InChIKeyRLDBCHSRUGKQQH-UHFFFAOYSA-N
MW239.56 g/mol
LogP3.60
Rot. Bonds2

About 3-bromo-5-(2-chloroethyl)-2-methylthiophene

3-bromo-5-(2-chloroethyl)-2-methylthiophene (PubChem CID 102844914) has the molecular formula C7H8BrClS and a molecular weight of 239.56 g/mol. Its IUPAC name is 3-bromo-5-(2-chloroethyl)-2-methylthiophene.

Molecular Properties

Compound Name3-bromo-5-(2-chloroethyl)-2-methylthiophene
PubChem CID102844914
Molecular FormulaC7H8BrClS
Molecular Weight239.56 g/mol
Exact Mass237.92
IUPAC Name3-bromo-5-(2-chloroethyl)-2-methylthiophene
SMILESCc1sc(CCCl)cc1Br
InChIInChI=1S/C7H8BrClS/c1-5-7(8)4-6(10-5)2-3-9/h4H,2-3H2,1H3
InChIKeyRLDBCHSRUGKQQH-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.56
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chloroethyl)-2-methylthiophene?
The IUPAC name of 3-bromo-5-(2-chloroethyl)-2-methylthiophene (CID 102844914) is 3-bromo-5-(2-chloroethyl)-2-methylthiophene.
What is the SMILES notation for 3-bromo-5-(2-chloroethyl)-2-methylthiophene?
The canonical SMILES for 3-bromo-5-(2-chloroethyl)-2-methylthiophene is Cc1sc(CCCl)cc1Br.
What is the InChIKey of 3-bromo-5-(2-chloroethyl)-2-methylthiophene?
The InChIKey is RLDBCHSRUGKQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClS/c1-5-7(8)4-6(10-5)2-3-9/h4H,2-3H2,1H3.
What are the key properties of 3-bromo-5-(2-chloroethyl)-2-methylthiophene?
3-bromo-5-(2-chloroethyl)-2-methylthiophene has a molecular weight of 239.56 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-chloroethyl)-2-methylthiophene is sourced from PubChem (CID 102844914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).