3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene

C12H9Br2ClS — CID 65278669

IUPAC3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene
SMILESCc1cc(Br)c(C(Br)c2ccccc2Cl)s1
InChIInChI=1S/C12H9Br2ClS/c1-7-6-9(13)12(16-7)11(14)8-4-2-3-5-10(8)15/h2-6,11H,1H3
InChIKeyGDAUMSRIURVRPN-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.96
Rot. Bonds2

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

3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene (PubChem CID 65278669) has the molecular formula C12H9Br2ClS and a molecular weight of 380.53 g/mol. Its IUPAC name is 3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene.

Molecular Properties

Compound Name3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene
PubChem CID65278669
Molecular FormulaC12H9Br2ClS
Molecular Weight380.53 g/mol
Exact Mass377.85
IUPAC Name3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene
SMILESCc1cc(Br)c(C(Br)c2ccccc2Cl)s1
InChIInChI=1S/C12H9Br2ClS/c1-7-6-9(13)12(16-7)11(14)8-4-2-3-5-10(8)15/h2-6,11H,1H3
InChIKeyGDAUMSRIURVRPN-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.96
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-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene
CID 65279022
1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 65279769
3-bromo-2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene
CID 107983579
3-bromo-2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-5-methylthiophene
CID 65278876
(3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine
CID 107096553
2-[bromo-(3-chloro-2-methylphenyl)methyl]-3,5-dimethylthiophene
CID 107099335
3-bromo-2-[bromo-(3-chloro-4-methylphenyl)methyl]-5-methylthiophene
CID 65283694
3-bromo-2-[chloro-(3-chloro-2-fluorophenyl)methyl]-5-methylthiophene
CID 81262291
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-3,5-dimethylthiophene
CID 81158554
3-bromo-2-[bromo-(3-bromophenyl)methyl]-5-methylthiophene
CID 65278245
3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran
CID 65278348
2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan
CID 65283596

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene?
The IUPAC name of 3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene (CID 65278669) is 3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene.
What is the SMILES notation for 3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene?
The canonical SMILES for 3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene is Cc1cc(Br)c(C(Br)c2ccccc2Cl)s1.
What is the InChIKey of 3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene?
The InChIKey is GDAUMSRIURVRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClS/c1-7-6-9(13)12(16-7)11(14)8-4-2-3-5-10(8)15/h2-6,11H,1H3.
What are the key properties of 3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene?
3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene has a molecular weight of 380.53 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene is sourced from PubChem (CID 65278669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).