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

C9H4Br3ClS2 — CID 63796992

IUPAC2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene
SMILESClC(c1cc(Br)sc1Br)c1sccc1Br
InChIInChI=1S/C9H4Br3ClS2/c10-5-1-2-14-8(5)7(13)4-3-6(11)15-9(4)12/h1-3,7H
InChIKeyLWRCSGJXUHKXRH-UHFFFAOYSA-N
MW451.43 g/mol
LogP6.43
Rot. Bonds2

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

2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene (PubChem CID 63796992) has the molecular formula C9H4Br3ClS2 and a molecular weight of 451.43 g/mol. Its IUPAC name is 2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene
PubChem CID63796992
Molecular FormulaC9H4Br3ClS2
Molecular Weight451.43 g/mol
Exact Mass447.70
IUPAC Name2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene
SMILESClC(c1cc(Br)sc1Br)c1sccc1Br
InChIInChI=1S/C9H4Br3ClS2/c10-5-1-2-14-8(5)7(13)4-3-6(11)15-9(4)12/h1-3,7H
InChIKeyLWRCSGJXUHKXRH-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.43
LogP ≤ 56.43
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-(2,5-dibromophenyl)methyl]thiophene
CID 63796464
3-bromo-2-[(5-bromo-2-methylphenyl)-chloromethyl]thiophene
CID 80535928
2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene
CID 80538783
2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan
CID 106855685
(2,5-dibromothiophen-3-yl)-(3-methylthiophen-2-yl)methanamine
CID 43464814
2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 55198340
5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene
CID 80537402
3-bromo-2-[chloro-(4-chlorophenyl)methyl]thiophene
CID 63798177
2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968208
2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene
CID 107965047
3-bromo-2-[(3-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 79747373
2,5-dibromo-3-[chloro-[4-(trifluoromethoxy)phenyl]methyl]thiophene
CID 116629141

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene?
The IUPAC name of 2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene (CID 63796992) is 2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene.
What is the SMILES notation for 2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene?
The canonical SMILES for 2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene is ClC(c1cc(Br)sc1Br)c1sccc1Br.
What is the InChIKey of 2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene?
The InChIKey is LWRCSGJXUHKXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br3ClS2/c10-5-1-2-14-8(5)7(13)4-3-6(11)15-9(4)12/h1-3,7H.
What are the key properties of 2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene?
2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene has a molecular weight of 451.43 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene is sourced from PubChem (CID 63796992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).