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

C12H9Cl3S — CID 102764699

IUPAC2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)c2cccc(Cl)c2)sc1Cl
InChIInChI=1S/C12H9Cl3S/c1-7-5-10(16-12(7)15)11(14)8-3-2-4-9(13)6-8/h2-6,11H,1H3
InChIKeyJKQSGWKMGVWNRS-UHFFFAOYSA-N
MW291.63 g/mol
LogP5.69
Rot. Bonds2

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

2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene (PubChem CID 102764699) has the molecular formula C12H9Cl3S and a molecular weight of 291.63 g/mol. Its IUPAC name is 2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene
PubChem CID102764699
Molecular FormulaC12H9Cl3S
Molecular Weight291.63 g/mol
Exact Mass289.95
IUPAC Name2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)c2cccc(Cl)c2)sc1Cl
InChIInChI=1S/C12H9Cl3S/c1-7-5-10(16-12(7)15)11(14)8-3-2-4-9(13)6-8/h2-6,11H,1H3
InChIKeyJKQSGWKMGVWNRS-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.63
LogP ≤ 55.69
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-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764820
2-chloro-5-[chloro-(5-chloro-2-methylphenyl)methyl]-3-methylthiophene
CID 102764694
2-[chloro-(3-chlorophenyl)methyl]-5-ethylthiophene
CID 63430949
2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764693
4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
CID 102764651
5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene
CID 107983647
5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene
CID 102764800
2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 102764724
1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79731389
2-chloro-5-[chloro-(2-chloro-4-methylphenyl)methyl]-3-methylthiophene
CID 106863306
2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene
CID 102764734
2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene
CID 103404938

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene?
The IUPAC name of 2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene (CID 102764699) is 2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene?
The canonical SMILES for 2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene is Cc1cc(C(Cl)c2cccc(Cl)c2)sc1Cl.
What is the InChIKey of 2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene?
The InChIKey is JKQSGWKMGVWNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3S/c1-7-5-10(16-12(7)15)11(14)8-3-2-4-9(13)6-8/h2-6,11H,1H3.
What are the key properties of 2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene?
2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene has a molecular weight of 291.63 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene is sourced from PubChem (CID 102764699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).