3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene

C11H10BrClS2 — CID 63432587

IUPAC3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene
SMILESCc1cc(C(Cl)c2ccc(Br)s2)c(C)s1
InChIInChI=1S/C11H10BrClS2/c1-6-5-8(7(2)14-6)11(13)9-3-4-10(12)15-9/h3-5,11H,1-2H3
InChIKeyZWVOZAUWMOUQTI-UHFFFAOYSA-N
MW321.69 g/mol
LogP5.52
Rot. Bonds2

About 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene

3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene (PubChem CID 63432587) has the molecular formula C11H10BrClS2 and a molecular weight of 321.69 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene
PubChem CID63432587
Molecular FormulaC11H10BrClS2
Molecular Weight321.69 g/mol
Exact Mass319.91
IUPAC Name3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene
SMILESCc1cc(C(Cl)c2ccc(Br)s2)c(C)s1
InChIInChI=1S/C11H10BrClS2/c1-6-5-8(7(2)14-6)11(13)9-3-4-10(12)15-9/h3-5,11H,1-2H3
InChIKeyZWVOZAUWMOUQTI-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.69
LogP ≤ 55.52
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-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-3-methylthiophene
CID 79997347
2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene
CID 79997011
2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene
CID 107099110
2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene
CID 63435413
2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene
CID 63435018
3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene
CID 103404581
3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene
CID 63432141
3-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylthiophene
CID 63432001
2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]thiophene
CID 63434185
3-[bromo-(5-methylthiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63440541
6-bromo-7-[(5-bromothiophen-2-yl)-chloromethyl]-2,3-dihydro-1,4-benzodioxine
CID 55198333
2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene
CID 79757506

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene?
The IUPAC name of 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene (CID 63432587) is 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene is Cc1cc(C(Cl)c2ccc(Br)s2)c(C)s1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene?
The InChIKey is ZWVOZAUWMOUQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClS2/c1-6-5-8(7(2)14-6)11(13)9-3-4-10(12)15-9/h3-5,11H,1-2H3.
What are the key properties of 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene?
3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene has a molecular weight of 321.69 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene is sourced from PubChem (CID 63432587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).