3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene

C11H6Br3ClS — CID 102836839

IUPAC3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene
SMILESClc1sc(C(Br)c2cccc(Br)c2)cc1Br
InChIInChI=1S/C11H6Br3ClS/c12-7-3-1-2-6(4-7)10(14)9-5-8(13)11(15)16-9/h1-5,10H
InChIKeyHANJMVDFOHIPQT-UHFFFAOYSA-N
MW445.40 g/mol
LogP6.41
Rot. Bonds2

About 3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene

3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene (PubChem CID 102836839) has the molecular formula C11H6Br3ClS and a molecular weight of 445.40 g/mol. Its IUPAC name is 3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene.

Molecular Properties

Compound Name3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene
PubChem CID102836839
Molecular FormulaC11H6Br3ClS
Molecular Weight445.40 g/mol
Exact Mass441.74
IUPAC Name3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene
SMILESClc1sc(C(Br)c2cccc(Br)c2)cc1Br
InChIInChI=1S/C11H6Br3ClS/c12-7-3-1-2-6(4-7)10(14)9-5-8(13)11(15)16-9/h1-5,10H
InChIKeyHANJMVDFOHIPQT-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.40
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene
CID 102836792
3-bromo-5-[bromo-(4-methylsulfanylphenyl)methyl]-2-chlorothiophene
CID 102837148
2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
CID 102836981
3-bromo-5-[2-(3-bromophenyl)-1-chloroethyl]-2-chlorothiophene
CID 102836380
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene
CID 102836918
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
3-bromo-5-[bromo-(2-bromo-4-methylphenyl)methyl]-2-chlorothiophene
CID 102836721
2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan
CID 106855734
3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene
CID 102836767
3-bromo-2-[bromo-(3-bromophenyl)methyl]-5-methylthiophene
CID 65278245
3-bromo-5-[1-bromo-2-(2,6-difluorophenyl)ethyl]-2-chlorothiophene
CID 102836863
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene
CID 103514684

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene?
The IUPAC name of 3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene (CID 102836839) is 3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene.
What is the SMILES notation for 3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene?
The canonical SMILES for 3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene is Clc1sc(C(Br)c2cccc(Br)c2)cc1Br.
What is the InChIKey of 3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene?
The InChIKey is HANJMVDFOHIPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br3ClS/c12-7-3-1-2-6(4-7)10(14)9-5-8(13)11(15)16-9/h1-5,10H.
What are the key properties of 3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene?
3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene has a molecular weight of 445.40 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene is sourced from PubChem (CID 102836839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).