5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene

C13H11Cl3S — CID 65238243

IUPAC5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene
SMILESCc1cc(C(Cl)c2ccc(Cl)c(Cl)c2)sc1C
InChIInChI=1S/C13H11Cl3S/c1-7-5-12(17-8(7)2)13(16)9-3-4-10(14)11(15)6-9/h3-6,13H,1-2H3
InChIKeyXZVNRJNKLGXRNU-UHFFFAOYSA-N
MW305.66 g/mol
LogP6.00
Rot. Bonds2

About 5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene

5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene (PubChem CID 65238243) has the molecular formula C13H11Cl3S and a molecular weight of 305.66 g/mol. Its IUPAC name is 5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene.

Molecular Properties

Compound Name5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene
PubChem CID65238243
Molecular FormulaC13H11Cl3S
Molecular Weight305.66 g/mol
Exact Mass303.96
IUPAC Name5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene
SMILESCc1cc(C(Cl)c2ccc(Cl)c(Cl)c2)sc1C
InChIInChI=1S/C13H11Cl3S/c1-7-5-12(17-8(7)2)13(16)9-3-4-10(14)11(15)6-9/h3-6,13H,1-2H3
InChIKeyXZVNRJNKLGXRNU-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.66
LogP ≤ 56.00
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-[chloro-(3-chloro-4-fluorophenyl)methyl]-2-methylthiophene
CID 102835536
5-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2,3-dimethylthiophene
CID 65237895
2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene
CID 81476163
[(3-chloro-4-methylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]hydrazine
CID 107562559
2-[chloro-(3,4-dichlorophenyl)methyl]-6-fluoro-1-benzothiophene
CID 81104327
2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764820
3-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-2-methylthiophene
CID 102835918
2-bromo-3-chloro-5-[chloro-(3,4-dimethylphenyl)methyl]thiophene
CID 80533320
1-(3,4-dichlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 65246502
1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene
CID 63436326
(4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol
CID 102829537
2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran
CID 63436451

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene?
The IUPAC name of 5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene (CID 65238243) is 5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene.
What is the SMILES notation for 5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene?
The canonical SMILES for 5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene is Cc1cc(C(Cl)c2ccc(Cl)c(Cl)c2)sc1C.
What is the InChIKey of 5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene?
The InChIKey is XZVNRJNKLGXRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3S/c1-7-5-12(17-8(7)2)13(16)9-3-4-10(14)11(15)6-9/h3-6,13H,1-2H3.
What are the key properties of 5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene?
5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene has a molecular weight of 305.66 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene is sourced from PubChem (CID 65238243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).