2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene

C11H9Cl3S2 — CID 103404938

IUPAC2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)c2scc(C)c2Cl)sc1Cl
InChIInChI=1S/C11H9Cl3S2/c1-5-3-7(16-11(5)14)9(13)10-8(12)6(2)4-15-10/h3-4,9H,1-2H3
InChIKeyUNXPLLYZBNZPPC-UHFFFAOYSA-N
MW311.69 g/mol
LogP6.06
Rot. Bonds2

About 2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene

2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene (PubChem CID 103404938) has the molecular formula C11H9Cl3S2 and a molecular weight of 311.69 g/mol. Its IUPAC name is 2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene
PubChem CID103404938
Molecular FormulaC11H9Cl3S2
Molecular Weight311.69 g/mol
Exact Mass309.92
IUPAC Name2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)c2scc(C)c2Cl)sc1Cl
InChIInChI=1S/C11H9Cl3S2/c1-5-3-7(16-11(5)14)9(13)10-8(12)6(2)4-15-10/h3-4,9H,1-2H3
InChIKeyUNXPLLYZBNZPPC-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.69
LogP ≤ 56.06
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

2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene
CID 103404857
2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 102764724
3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene
CID 103404581
2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764693
2-[(4-bromo-2,5-dimethylphenyl)-chloromethyl]-3-chloro-4-methylthiophene
CID 103404793
3-chloro-4-methyl-2-propan-2-ylthiophene
CID 58718163
3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene
CID 103404573
4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
CID 102764651
2-chloro-5-[chloro-(5-chloro-2-methylphenyl)methyl]-3-methylthiophene
CID 102764694
3-chloro-2-[chloro-(2,4,6-triethylphenyl)methyl]-4-methylthiophene
CID 103404884
5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene
CID 102764800
3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran
CID 102764769

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene?
The IUPAC name of 2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene (CID 103404938) is 2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene?
The canonical SMILES for 2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene is Cc1cc(C(Cl)c2scc(C)c2Cl)sc1Cl.
What is the InChIKey of 2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene?
The InChIKey is UNXPLLYZBNZPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3S2/c1-5-3-7(16-11(5)14)9(13)10-8(12)6(2)4-15-10/h3-4,9H,1-2H3.
What are the key properties of 2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene?
2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene has a molecular weight of 311.69 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene is sourced from PubChem (CID 103404938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).