3-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene

C11H10BrClS2 — CID 65278499

IUPAC3-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene
SMILESCc1ccc(C(Cl)c2sc(C)cc2Br)s1
InChIInChI=1S/C11H10BrClS2/c1-6-3-4-9(14-6)10(13)11-8(12)5-7(2)15-11/h3-5,10H,1-2H3
InChIKeyTYPJUCICPXZPEL-UHFFFAOYSA-N
MW321.69 g/mol
LogP5.52
Rot. Bonds2

About 3-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene

3-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene (PubChem CID 65278499) has the molecular formula C11H10BrClS2 and a molecular weight of 321.69 g/mol. Its IUPAC name is 3-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene.

Molecular Properties

Compound Name3-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene
PubChem CID65278499
Molecular FormulaC11H10BrClS2
Molecular Weight321.69 g/mol
Exact Mass319.91
IUPAC Name3-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene
SMILESCc1ccc(C(Cl)c2sc(C)cc2Br)s1
InChIInChI=1S/C11H10BrClS2/c1-6-3-4-9(14-6)10(13)11-8(12)5-7(2)15-11/h3-5,10H,1-2H3
InChIKeyTYPJUCICPXZPEL-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

3-bromo-2-[chloro-(4,5-dimethylthiophen-2-yl)methyl]-5-methylthiophene
CID 65278388
3-bromo-2-[chloro-(4-methylthiophen-2-yl)methyl]-5-methylthiophene
CID 131203850
3-bromo-2-[chloro-(3,4-dimethylphenyl)methyl]-5-methylthiophene
CID 65278713
3-bromo-2-[chloro-(4-chlorophenyl)methyl]-5-methylthiophene
CID 65278975
3-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-methylthiophene
CID 107991928
3-bromo-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene
CID 65279022
3-bromo-2-[(4-bromo-3-fluorophenyl)-chloromethyl]-5-methylthiophene
CID 65278452
3-bromo-2-[chloro-(3-chloro-4-fluorophenyl)methyl]-5-methylthiophene
CID 82879562
2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-5-methylthiophene
CID 55199246
3-bromo-2-[chloro-(3,4-dimethoxyphenyl)methyl]-5-methylthiophene
CID 65278187
2-[(3-bromo-5-methylthiophen-2-yl)-chloromethyl]-5-ethylfuran
CID 79083681
3-bromo-2-[chloro-(3-chloro-2-fluorophenyl)methyl]-5-methylthiophene
CID 81262291

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene?
The IUPAC name of 3-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene (CID 65278499) is 3-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene.
What is the SMILES notation for 3-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene?
The canonical SMILES for 3-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene is Cc1ccc(C(Cl)c2sc(C)cc2Br)s1.
What is the InChIKey of 3-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene?
The InChIKey is TYPJUCICPXZPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClS2/c1-6-3-4-9(14-6)10(13)11-8(12)5-7(2)15-11/h3-5,10H,1-2H3.
What are the key properties of 3-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene?
3-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene 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-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene is sourced from PubChem (CID 65278499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).