5-[bromo-(2,5-dichlorothiophen-3-yl)methyl]thieno[3,2-b]thiophene

C11H5BrCl2S3 — CID 80744838

IUPAC5-[bromo-(2,5-dichlorothiophen-3-yl)methyl]thieno[3,2-b]thiophene
SMILESClc1cc(C(Br)c2cc3sccc3s2)c(Cl)s1
InChIInChI=1S/C11H5BrCl2S3/c12-10(5-3-9(13)17-11(5)14)8-4-7-6(16-8)1-2-15-7/h1-4,10H
InChIKeyVMTZAIYAXPGLFR-UHFFFAOYSA-N
MW384.17 g/mol
LogP6.82
Rot. Bonds2

About 5-[bromo-(2,5-dichlorothiophen-3-yl)methyl]thieno[3,2-b]thiophene

5-[bromo-(2,5-dichlorothiophen-3-yl)methyl]thieno[3,2-b]thiophene (PubChem CID 80744838) has the molecular formula C11H5BrCl2S3 and a molecular weight of 384.17 g/mol. Its IUPAC name is 5-[bromo-(2,5-dichlorothiophen-3-yl)methyl]thieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-[bromo-(2,5-dichlorothiophen-3-yl)methyl]thieno[3,2-b]thiophene
PubChem CID80744838
Molecular FormulaC11H5BrCl2S3
Molecular Weight384.17 g/mol
Exact Mass381.81
IUPAC Name5-[bromo-(2,5-dichlorothiophen-3-yl)methyl]thieno[3,2-b]thiophene
SMILESClc1cc(C(Br)c2cc3sccc3s2)c(Cl)s1
InChIInChI=1S/C11H5BrCl2S3/c12-10(5-3-9(13)17-11(5)14)8-4-7-6(16-8)1-2-15-7/h1-4,10H
InChIKeyVMTZAIYAXPGLFR-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.17
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[bromo-(2-chloro-4,5-difluorophenyl)methyl]thieno[3,2-b]thiophene
CID 107477680
5-[bromo-(2-chloro-4-methoxyphenyl)methyl]thieno[3,2-b]thiophene
CID 80745326
5-[bromo(naphthalen-1-yl)methyl]thieno[3,2-b]thiophene
CID 80739039
5-[bromo-(3,4-dimethylphenyl)methyl]thieno[3,2-b]thiophene
CID 80745931
chloro(thieno[3,2-b]thiophen-5-yl)methanol
CID 123645090
2-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene
CID 63444856
5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene
CID 103396524
3-[bromo-(4-bromo-2-chlorophenyl)methyl]-2,5-dichlorothiophene
CID 63444900
(4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 106764406
5-[bromo-(3,4-dimethoxyphenyl)methyl]thieno[3,2-b]thiophene
CID 80745040
(3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733867
(5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80744829

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2,5-dichlorothiophen-3-yl)methyl]thieno[3,2-b]thiophene?
The IUPAC name of 5-[bromo-(2,5-dichlorothiophen-3-yl)methyl]thieno[3,2-b]thiophene (CID 80744838) is 5-[bromo-(2,5-dichlorothiophen-3-yl)methyl]thieno[3,2-b]thiophene.
What is the SMILES notation for 5-[bromo-(2,5-dichlorothiophen-3-yl)methyl]thieno[3,2-b]thiophene?
The canonical SMILES for 5-[bromo-(2,5-dichlorothiophen-3-yl)methyl]thieno[3,2-b]thiophene is Clc1cc(C(Br)c2cc3sccc3s2)c(Cl)s1.
What is the InChIKey of 5-[bromo-(2,5-dichlorothiophen-3-yl)methyl]thieno[3,2-b]thiophene?
The InChIKey is VMTZAIYAXPGLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2S3/c12-10(5-3-9(13)17-11(5)14)8-4-7-6(16-8)1-2-15-7/h1-4,10H.
What are the key properties of 5-[bromo-(2,5-dichlorothiophen-3-yl)methyl]thieno[3,2-b]thiophene?
5-[bromo-(2,5-dichlorothiophen-3-yl)methyl]thieno[3,2-b]thiophene has a molecular weight of 384.17 g/mol, XLogP of 6.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2,5-dichlorothiophen-3-yl)methyl]thieno[3,2-b]thiophene is sourced from PubChem (CID 80744838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).