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

C11H10BrClS2 — CID 80537402

IUPAC5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene
SMILESCc1cc(C(Cl)c2sccc2Br)sc1C
InChIInChI=1S/C11H10BrClS2/c1-6-5-9(15-7(6)2)10(13)11-8(12)3-4-14-11/h3-5,10H,1-2H3
InChIKeyYZXBPJCXEGOVAL-UHFFFAOYSA-N
MW321.69 g/mol
LogP5.52
Rot. Bonds2

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

5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene (PubChem CID 80537402) has the molecular formula C11H10BrClS2 and a molecular weight of 321.69 g/mol. Its IUPAC name is 5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene.

Molecular Properties

Compound Name5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene
PubChem CID80537402
Molecular FormulaC11H10BrClS2
Molecular Weight321.69 g/mol
Exact Mass319.91
IUPAC Name5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene
SMILESCc1cc(C(Cl)c2sccc2Br)sc1C
InChIInChI=1S/C11H10BrClS2/c1-6-5-9(15-7(6)2)10(13)11-8(12)3-4-14-11/h3-5,10H,1-2H3
InChIKeyYZXBPJCXEGOVAL-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-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 80535842
3-bromo-2-[chloro-(4,5-dimethylthiophen-2-yl)methyl]-5-methylthiophene
CID 65278388
N-[(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 80535679
3-bromo-2-[(5-bromo-2-methylphenyl)-chloromethyl]thiophene
CID 80535928
2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 102764724
2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115849148
2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene
CID 81124555
2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene
CID 63796992
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 65237462
3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene
CID 102835807
3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene
CID 63796464
3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene
CID 63796148

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene?
The IUPAC name of 5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene (CID 80537402) is 5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene.
What is the SMILES notation for 5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene?
The canonical SMILES for 5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene is Cc1cc(C(Cl)c2sccc2Br)sc1C.
What is the InChIKey of 5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene?
The InChIKey is YZXBPJCXEGOVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClS2/c1-6-5-9(15-7(6)2)10(13)11-8(12)3-4-14-11/h3-5,10H,1-2H3.
What are the key properties of 5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene?
5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-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 5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene is sourced from PubChem (CID 80537402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).