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

C12H9BrCl2S — CID 107099110

IUPAC2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene
SMILESCc1c(Cl)cccc1C(Cl)c1ccc(Br)s1
InChIInChI=1S/C12H9BrCl2S/c1-7-8(3-2-4-9(7)14)12(15)10-5-6-11(13)16-10/h2-6,12H,1H3
InChIKeyZIVNZVBDGOEBDE-UHFFFAOYSA-N
MW336.08 g/mol
LogP5.80
Rot. Bonds2

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

2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene (PubChem CID 107099110) has the molecular formula C12H9BrCl2S and a molecular weight of 336.08 g/mol. Its IUPAC name is 2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene
PubChem CID107099110
Molecular FormulaC12H9BrCl2S
Molecular Weight336.08 g/mol
Exact Mass333.90
IUPAC Name2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene
SMILESCc1c(Cl)cccc1C(Cl)c1ccc(Br)s1
InChIInChI=1S/C12H9BrCl2S/c1-7-8(3-2-4-9(7)14)12(15)10-5-6-11(13)16-10/h2-6,12H,1H3
InChIKeyZIVNZVBDGOEBDE-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.08
LogP ≤ 55.80
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

N-[(5-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine
CID 107096496
2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene
CID 107957784
3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene
CID 63432587
2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene
CID 63435018
2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene
CID 79997011
3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran
CID 65152479
2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene
CID 63435413
N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline
CID 63422025
2-[bromo-(3-chloro-2-methylphenyl)methyl]-3,5-dimethylthiophene
CID 107099335
(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107096356
1-(5-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 61103986
5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene
CID 102764800

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene?
The IUPAC name of 2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene (CID 107099110) is 2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene?
The canonical SMILES for 2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene is Cc1c(Cl)cccc1C(Cl)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene?
The InChIKey is ZIVNZVBDGOEBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2S/c1-7-8(3-2-4-9(7)14)12(15)10-5-6-11(13)16-10/h2-6,12H,1H3.
What are the key properties of 2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene?
2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene has a molecular weight of 336.08 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene is sourced from PubChem (CID 107099110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).