5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene

C12H8BrCl3S — CID 102764800

IUPAC5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene
SMILESCc1cc(C(Cl)c2cccc(Br)c2Cl)sc1Cl
InChIInChI=1S/C12H8BrCl3S/c1-6-5-9(17-12(6)16)11(15)7-3-2-4-8(13)10(7)14/h2-5,11H,1H3
InChIKeyDLMXNUWZWPJGED-UHFFFAOYSA-N
MW370.53 g/mol
LogP6.45
Rot. Bonds2

About 5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene

5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene (PubChem CID 102764800) has the molecular formula C12H8BrCl3S and a molecular weight of 370.53 g/mol. Its IUPAC name is 5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene.

Molecular Properties

Compound Name5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene
PubChem CID102764800
Molecular FormulaC12H8BrCl3S
Molecular Weight370.53 g/mol
Exact Mass367.86
IUPAC Name5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene
SMILESCc1cc(C(Cl)c2cccc(Br)c2Cl)sc1Cl
InChIInChI=1S/C12H8BrCl3S/c1-6-5-9(17-12(6)16)11(15)7-3-2-4-8(13)10(7)14/h2-5,11H,1H3
InChIKeyDLMXNUWZWPJGED-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 56.45
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

2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764693
5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene
CID 107983647
3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene
CID 102836292
2-chloro-5-[chloro-(5-chloro-2-methylphenyl)methyl]-3-methylthiophene
CID 102764694
2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene
CID 102764699
2-chloro-5-[chloro-(2-chloro-4-methylphenyl)methyl]-3-methylthiophene
CID 106863306
N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 102763887
2-bromo-5-[chloro-(2-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 81477529
3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran
CID 102764769
3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
CID 102836447
3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene
CID 102836626
2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene
CID 107099110

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene?
The IUPAC name of 5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene (CID 102764800) is 5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene.
What is the SMILES notation for 5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene?
The canonical SMILES for 5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene is Cc1cc(C(Cl)c2cccc(Br)c2Cl)sc1Cl.
What is the InChIKey of 5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene?
The InChIKey is DLMXNUWZWPJGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl3S/c1-6-5-9(17-12(6)16)11(15)7-3-2-4-8(13)10(7)14/h2-5,11H,1H3.
What are the key properties of 5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene?
5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene has a molecular weight of 370.53 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene is sourced from PubChem (CID 102764800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).