2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene

C11H10BrClS2 — CID 63431036

IUPAC2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene
SMILESCCc1ccc(C(Cl)c2ccc(Br)s2)s1
InChIInChI=1S/C11H10BrClS2/c1-2-7-3-4-8(14-7)11(13)9-5-6-10(12)15-9/h3-6,11H,2H2,1H3
InChIKeyWOBBSIWMCPMXBC-UHFFFAOYSA-N
MW321.69 g/mol
LogP5.46
Rot. Bonds3

About 2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene

2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene (PubChem CID 63431036) has the molecular formula C11H10BrClS2 and a molecular weight of 321.69 g/mol. Its IUPAC name is 2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene
PubChem CID63431036
Molecular FormulaC11H10BrClS2
Molecular Weight321.69 g/mol
Exact Mass319.91
IUPAC Name2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene
SMILESCCc1ccc(C(Cl)c2ccc(Br)s2)s1
InChIInChI=1S/C11H10BrClS2/c1-2-7-3-4-8(14-7)11(13)9-5-6-10(12)15-9/h3-6,11H,2H2,1H3
InChIKeyWOBBSIWMCPMXBC-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.69
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromophenyl)-chloromethyl]-5-ethylthiophene
CID 63431228
2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene
CID 81111630
2-[(3-bromo-2,4,6-trimethylphenyl)-chloromethyl]-5-ethylthiophene
CID 114249314
2-[chloro-(4-fluorophenyl)methyl]-5-ethylthiophene
CID 63431184
2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene
CID 79997011
2-[chloro-(5-ethylthiophen-2-yl)methyl]-3-methylfuran
CID 61082558
2-(1-chloro-2,2-dimethylpropyl)-5-ethylthiophene
CID 63430858
2-bromo-5-(1-chlorobutyl)thiophene
CID 61085689
2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene
CID 61082727
2-[chloro-(3-chlorophenyl)methyl]-5-ethylthiophene
CID 63430949
2-[chloro-(5-chloro-2-fluorophenyl)methyl]-5-ethylthiophene
CID 63430815
3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran
CID 65152479

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene?
The IUPAC name of 2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene (CID 63431036) is 2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene?
The canonical SMILES for 2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene is CCc1ccc(C(Cl)c2ccc(Br)s2)s1.
What is the InChIKey of 2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene?
The InChIKey is WOBBSIWMCPMXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClS2/c1-2-7-3-4-8(14-7)11(13)9-5-6-10(12)15-9/h3-6,11H,2H2,1H3.
What are the key properties of 2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene?
2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene has a molecular weight of 321.69 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene is sourced from PubChem (CID 63431036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).