2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene

C9H4BrCl3S2 — CID 80533343

IUPAC2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene
SMILESClc1ccc(C(Cl)c2cc(Cl)c(Br)s2)s1
InChIInChI=1S/C9H4BrCl3S2/c10-9-4(11)3-6(15-9)8(13)5-1-2-7(12)14-5/h1-3,8H
InChIKeyQLLQDVFGEMMIRZ-UHFFFAOYSA-N
MW362.53 g/mol
LogP6.21
Rot. Bonds2

About 2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene

2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene (PubChem CID 80533343) has the molecular formula C9H4BrCl3S2 and a molecular weight of 362.53 g/mol. Its IUPAC name is 2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene
PubChem CID80533343
Molecular FormulaC9H4BrCl3S2
Molecular Weight362.53 g/mol
Exact Mass359.80
IUPAC Name2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene
SMILESClc1ccc(C(Cl)c2cc(Cl)c(Br)s2)s1
InChIInChI=1S/C9H4BrCl3S2/c10-9-4(11)3-6(15-9)8(13)5-1-2-7(12)14-5/h1-3,8H
InChIKeyQLLQDVFGEMMIRZ-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.53
LogP ≤ 56.21
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-3-chloro-5-[chloro-(3,4-dimethylphenyl)methyl]thiophene
CID 80533320
2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene
CID 79997011
2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene
CID 82816642
2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene
CID 103404857
2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene
CID 80533672
2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene
CID 81125250
2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene
CID 61084392
2-bromo-5-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene
CID 80533678
2-bromo-3-chloro-5-(1-chloropropyl)thiophene
CID 80533388
2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene
CID 63432103
2-bromo-3-chloro-5-[1-chloro-2-(4-chlorophenyl)ethyl]thiophene
CID 80533733
2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-5-chlorothiophene
CID 63427355

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene?
The IUPAC name of 2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene (CID 80533343) is 2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene.
What is the SMILES notation for 2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene?
The canonical SMILES for 2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene is Clc1ccc(C(Cl)c2cc(Cl)c(Br)s2)s1.
What is the InChIKey of 2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene?
The InChIKey is QLLQDVFGEMMIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrCl3S2/c10-9-4(11)3-6(15-9)8(13)5-1-2-7(12)14-5/h1-3,8H.
What are the key properties of 2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene?
2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene has a molecular weight of 362.53 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene is sourced from PubChem (CID 80533343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).